2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-
TL;DR: 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- (CAS 108640-35-3) is a chemical compound with molecular formula C17H33NOS and molecular weight 299.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-heptylsulfanylbutyl)azepan-2-one
Also Known As: 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-, Hexahydro-1-(4-(heptylthio)butyl)-2H-azepin-2-one, 1-(4-heptylsulfanylbutyl)azepan-2-one, 1-[4-(HEPTYLSULFANYL)BUTYL]AZEPAN-2-ONE, RefChem:268436
| Molecular Formula | C17H33NOS |
|---|---|
| Molecular Weight | 299.23 g/mol |
| LogP | 4.8728 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 299.22827 |
| Heavy Atoms | 20 |
| Complexity | 245.1445 |
Chemical Identifiers
| CAS Number | 108640-35-3 |
|---|---|
| SMILES | CCCCCCCSCCCCN1CCCCCC1=O |
Product Overview
2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- (CAS 108640-35-3), with molecular formula C17H33NOS and molecular weight 299.23 g/mol. IUPAC: 1-(4-heptylsulfanylbutyl)azepan-2-one.
Chemical Property Profile of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-
Property Insights of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-
The XLogP value of 4.8728 indicates that 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- has 0 hydrogen bond donor(s) and 2 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 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-?
The CAS number of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- is 108640-35-3.
What is the molecular formula of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-?
The molecular formula of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- is C17H33NOS.
What is the molecular weight of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-?
The molecular weight of 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- is 299.23 g/mol.
Where can I buy 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-?
You can request a quote for 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.