Brexpiprazole

CAS 913611-97-9C25H27N3O2SMW 433.6

Brexpiprazole (CAS 913611-97-9) — formula C25H27N3O2S, molecular weight 433.6.

Product Overview

CAS Number	913611-97-9
Molecular Formula	C25H27N3O2S
Molecular Weight	433.6
Melting Point	135.1
Boiling Point	675.2
LogP	4.7

Technical Profile

What this product is

Brexpiprazole is a chemical compound with CAS registry number 913611-97-9 and molecular formula C25H27N3O2S (molecular weight 433.6).

Identification

CAS number: 913611-97-9

Its molecular formula C25H27N3O2S comprises 25 C, 27 H, 3 N, 2 O, 1 S atoms.

Also known as: Brexpiprazole · 布瑞哌唑

Frequently Asked Questions

What is the CAS number of Brexpiprazole?

The CAS registry number of Brexpiprazole is 913611-97-9.

What is the molecular formula and molecular weight of Brexpiprazole?

Molecular formula C25H27N3O2S, molecular weight 433.6.

What other names is Brexpiprazole known by?

It is also registered under: Brexpiprazole, 布瑞哌唑.

PubChem Public Data

Independent reference data for Brexpiprazole (CAS 913611-97-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	913611-97-9
PubChem CID	11978813
Molecular formula	C25H27N3O2S
IUPAC name	7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
UNII (FDA)	2J3YBM1K8C

Computed descriptors

Molecular Weight	433.6
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	433.18239829
Monoisotopic Mass	433.18239829
Topological Polar Surface Area	73.1
Heavy Atom Count	31

Physicochemical values on record

Boiling Point	675.2
Melting Point	135.1

Documented uses on record

Synonyms and trade names

BREXPIPRAZOLE; 913611-97-9; Rexulti; OPC-34712; OPC 34712; brexpiprazol; 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one; 2J3YBM1K8C; 7-(4-(4-(1-Benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one; DTXSID40238527; 7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one; brexpiprazolum; 7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1H-quinolin-2-one; 7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2(1H)-one; 7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1,2-dihydroquinolin-2-one; RefChem:58868

GHS hazard classification

Reported hazard statements	H302 (96.6%), H351 (98.3%), H360 (96.6%), H362 (98.3%), H372 (96.6%), H400 (96.6%), H410 (98.3%), H361 (100%)

H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]

H351 (98.3%): Suspected of causing cancer [Warning Carcinogenicity]

What the public record says

Brexpiprazole · CAS 913611-97-9 · C25H27N3O2S. UNII 2J3YBM1K8C. Boiling Point: 675.2; Melting Point: 135.1.

Source: PubChem / Wikidata; the batch COA governs where values differ.