3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol (CAS 85850-94-8) — formula C25H24O4S, molecular weight 420.5; category organic chemicals.
| CAS Number | 85850-94-8 |
|---|---|
| Molecular Formula | C25H24O4S |
| Molecular Weight | 420.5 |
| LogP | 4.3 |
| Category | Organic Chemicals |
3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol is a carbon-based organic compound with CAS registry number 85850-94-8 and molecular formula C25H24O4S (molecular weight 420.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85850-94-8
Its molecular formula C25H24O4S comprises 25 C, 24 H, 4 O, 1 S atoms.
Also known as: 3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol · 3-[[10-乙基-11-(对羟基苯基)二苯并[b,f]噻吩-3-基]氧基]-1,2-丙二醇
Category: organic chemicals
The CAS registry number of 3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol is 85850-94-8.
Molecular formula C25H24O4S, molecular weight 420.5.
It is also registered under: 3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol, 3-[[10-乙基-11-(对羟基苯基)二苯并[b,f]噻吩-3-基]氧基]-1,2-丙二醇.
Category: Organic Chemicals.
Independent reference data for 3-[[10-Ethyl-11-(p-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy]-1,2-propanediol (CAS 85850-94-8), compiled from public chemistry databases.
| CAS 号 | 85850-94-8 |
|---|---|
| PubChem CID | 3070125 |
| 分子式 | C25H24O4S |
| IUPAC 名称 | 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol |
| UNII（FDA） | VPE0K6LKXQ |
| Molecular Weight | 420.5 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 420.13953042 |
| Monoisotopic Mass | 420.13953042 |
| Topological Polar Surface Area | 95.2 |
| Heavy Atom Count | 30 |
UNII-VPE0K6LKXQ; VPE0K6LKXQ; BRN 5637005; 3-((10-Ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin-3-yl)oxy)-1,2-propanediol; 85850-94-8; 1,2-Propanediol, 3-((10-ethyl-11-(p-hydroxyphenyl)dibenzo(b,f)thiepin-3-yl)oxy)-; 3-((10-Ethyl-11-(p-hydroxyphenyl)dibenzo(b,f)thiepin-3-yl)oxy)-1,2-propanediol; CHEMBL14625; DTXSID001006417; Q27291951; 3-{[10-Ethyl-11-(4-hydroxyphenyl)dibenzo[b,f]thiepin-3-yl]oxy}propane-1,2-diol
3-[[10-乙基-11-(对羟基苯基)二苯并[b,f]噻吩-3-基]氧基]-1,2-丙二醇 · CAS 85850-94-8 · C25H24O4S. UNII VPE0K6LKXQ.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.