![6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone structure](/static/products/7673/767323-31-9.webp)
6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
TL;DR: 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone (CAS 767323-31-9) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2-hydroxyphenyl)methanethione
Also Known As: azepan-1-yl(2-hydroxyphenyl)methanethione, 2-(1-azepanylcarbonothioyl)phenol, azepan-1-yl-(2-hydroxyphenyl)methanethione, SDCCGMLS-0047077.P002, 6-[1-azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.9437 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 369.9503 |
Chemical Identifiers
| CAS Number | 767323-31-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)C2=CC=CC=C2O |
Product Overview
6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone (CAS 767323-31-9), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: azepan-1-yl-(2-hydroxyphenyl)methanethione.
Chemical Property Profile of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
Property Insights of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
The XLogP value of 2.9437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone. With a topological polar surface area (TPSA) of 23.47 Ų, 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone has 1 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 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone?
The CAS number of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone is 767323-31-9.
What is the molecular formula of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone?
The molecular formula of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone is C13H17NOS.
What is the molecular weight of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone?
The molecular weight of 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone is 235.10 g/mol.
Where can I buy 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone?
You can request a quote for 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone?
Yes, KEHONG BIO provides custom synthesis services for 6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.