![1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone structure](/static/products/4284/428477-96-7.webp)
1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
TL;DR: 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone (CAS 428477-96-7) is a chemical compound with molecular formula C20H23NOS and molecular weight 325.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone
Also Known As: 1-{4-[(Phenylthio)methyl]benzoyl}, 4-(1-azepanylcarbonyl)benzyl phenyl sulfide, azepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone, 1-{4-[(phenylthio)methyl]benzoyl}azepane, 1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
| Molecular Formula | C20H23NOS |
|---|---|
| Molecular Weight | 325.15 g/mol |
| LogP | 4.9951 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.15002 |
| Heavy Atoms | 23 |
| Complexity | 615.84973 |
Chemical Identifiers
| CAS Number | 428477-96-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3 |
Product Overview
1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone (CAS 428477-96-7), with molecular formula C20H23NOS and molecular weight 325.15 g/mol. IUPAC: azepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone.
Chemical Property Profile of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
Property Insights of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
The XLogP value of 4.9951 indicates that 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone 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-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone 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 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone?
The CAS number of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone is 428477-96-7.
What is the molecular formula of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone?
The molecular formula of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone is C20H23NOS.
What is the molecular weight of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone?
The molecular weight of 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone is 325.15 g/mol.
Where can I buy 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone?
You can request a quote for 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.