1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide
TL;DR: 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide (CAS 61508-20-1) is a chemical compound with molecular formula C18H24BrNOS and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one;hydrobromide
Also Known As: 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide, 1-Benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-1-butanone hydrobromide, 4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one hydrobromide, 4-(Azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one--hydrogen bromide (1/1), RefChem:228884
| Molecular Formula | C18H24BrNOS |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 5.3181 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0762 |
| Heavy Atoms | 22 |
| Complexity | 601.9079 |
Chemical Identifiers
| CAS Number | 61508-20-1 |
|---|---|
| SMILES | C1CCCN(CC1)CCCC(=O)C2=CSC3=CC=CC=C32.Br |
Product Overview
1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide (CAS 61508-20-1), with molecular formula C18H24BrNOS and molecular weight 381.08 g/mol. IUPAC: 4-(azepan-1-yl)-1-(1-benzothiophen-3-yl)butan-1-one;hydrobromide.
Chemical Property Profile of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide
Property Insights of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide
The XLogP value of 5.3181 indicates that 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide?
The CAS number of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide is 61508-20-1.
What is the molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide?
The molecular formula of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide is C18H24BrNOS.
What is the molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide?
The molecular weight of 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide is 381.08 g/mol.
Where can I buy 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide?
You can request a quote for 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-benzo(b)thien-3-yl-4-(hexahydro-1H-azepin-1-yl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.