1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride
TL;DR: 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride (CAS 143380-90-9) is a chemical compound with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride
Also Known As: 4-Hexamethylenimino-1-(2-thienyl)butanone hydrochloride, 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride, 4-(Hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-1-butanone hydrochloride, 4-(azepan-1-yl)-1-thiophen-2-ylbutan-1-one hydrochloride, 4-(azepan-1-yl)-1-thiophen-2-ylbutan-1-one,hydrochloride
| Molecular Formula | C14H22ClNOS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 4.0088 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11105 |
| Heavy Atoms | 18 |
| Complexity | 331.573 |
Chemical Identifiers
| CAS Number | 143380-90-9 |
|---|---|
| SMILES | C1CCCN(CC1)CCCC(=O)C2=CC=CS2.Cl |
Product Overview
1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride (CAS 143380-90-9), with molecular formula C14H22ClNOS and molecular weight 287.11 g/mol. IUPAC: 4-(azepan-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride.
Chemical Property Profile of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride
Property Insights of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride
The XLogP value of 4.0088 indicates that 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride 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, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride?
The CAS number of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride is 143380-90-9.
What is the molecular formula of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride?
The molecular formula of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride is C14H22ClNOS.
What is the molecular weight of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride?
The molecular weight of 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride is 287.11 g/mol.
Where can I buy 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride?
You can request a quote for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.