4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid (CAS 72313-44-1) — formula C21H29NO4S, molecular weight 391.5; category organic chemicals.
| CAS Number | 72313-44-1 |
|---|---|
| Molecular Formula | C21H29NO4S |
| Molecular Weight | 391.5 |
| LogP | 3.8 |
| Category | Organic Chemicals |
4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid is a carbon-based organic compound with CAS registry number 72313-44-1 and molecular formula C21H29NO4S (molecular weight 391.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72313-44-1
Its molecular formula C21H29NO4S comprises 21 C, 29 H, 1 N, 4 O, 1 S atoms.
Also known as: 4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid · 4-(3-((2-(1-羟基环己基)乙基)-4-氧代-2-噻唑烷基)丙基)苯甲酸
Category: organic chemicals
The CAS registry number of 4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid is 72313-44-1.
Molecular formula C21H29NO4S, molecular weight 391.5.
It is also registered under: 4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid, 4-(3-((2-(1-羟基环己基)乙基)-4-氧代-2-噻唑烷基)丙基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-(3-((2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid (CAS 72313-44-1), compiled from public chemistry databases.
| CAS 号 | 72313-44-1 |
|---|---|
| PubChem CID | 175027 |
| 分子式 | C21H29NO4S |
| IUPAC 名称 | 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid |
| UNII（FDA） | 8FR918M34P |
| Molecular Weight | 391.5 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 391.18172958 |
| Monoisotopic Mass | 391.18172958 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 27 |
72313-44-1; 8FR918M34P; Benzoic acid, 4-(3-(3-(2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)-; 4-(3-((2-(1-Hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid; RefChem:912113; 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid; 4-(3-{3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl}propyl)benzoic acid; L-644122; (+/-)-4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoic acid; (+/-)-4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoic acid; 4-(3-(3-(2-(1-HYDROXYCYCLOHEXYL)ETHYL)-4-OXO-2-THIAZOLIDINYL)PROPYL)BENZOIC ACID; 4-{3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoic Acid; 4-Hctpb; UNII-8FR918M34P; L 644122; CHEMBL116327
4-(3-((2-(1-羟基环己基)乙基)-4-氧代-2-噻唑烷基)丙基)苯甲酸 · CAS 72313-44-1 · C21H29NO4S. UNII 8FR918M34P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.