1-Azepanyl-(4-methoxyphenyl)methanethione
TL;DR: 1-Azepanyl-(4-methoxyphenyl)methanethione (CAS 402775-73-9) is a chemical compound with molecular formula C14H19NOS and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-methoxyphenyl)methanethione
Also Known As: 1-azepanyl-(4-methoxyphenyl)methanethione, azepan-1-yl-(4-methoxyphenyl)methanethione, azepan-1-yl(4-methoxyphenyl)methanethione, 4-(1-azepanylcarbothioyl)phenyl methyl ether, 1-AZEPANYL(4-METHOXYPHENYL)METHANETHIONE
| Molecular Formula | C14H19NOS |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.2467 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.11873 |
| Heavy Atoms | 17 |
| Complexity | 366.31354 |
Chemical Identifiers
| CAS Number | 402775-73-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=S)N2CCCCCC2 |
Product Overview
1-Azepanyl-(4-methoxyphenyl)methanethione (CAS 402775-73-9), with molecular formula C14H19NOS and molecular weight 249.12 g/mol. IUPAC: azepan-1-yl-(4-methoxyphenyl)methanethione.
Chemical Property Profile of 1-Azepanyl-(4-methoxyphenyl)methanethione
Property Insights of 1-Azepanyl-(4-methoxyphenyl)methanethione
The XLogP value of 3.2467 indicates that 1-Azepanyl-(4-methoxyphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 1-Azepanyl-(4-methoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azepanyl-(4-methoxyphenyl)methanethione 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-methoxyphenyl)methanethione?
The CAS number of 1-Azepanyl-(4-methoxyphenyl)methanethione is 402775-73-9.
What is the molecular formula of 1-Azepanyl-(4-methoxyphenyl)methanethione?
The molecular formula of 1-Azepanyl-(4-methoxyphenyl)methanethione is C14H19NOS.
What is the molecular weight of 1-Azepanyl-(4-methoxyphenyl)methanethione?
The molecular weight of 1-Azepanyl-(4-methoxyphenyl)methanethione is 249.12 g/mol.
Where can I buy 1-Azepanyl-(4-methoxyphenyl)methanethione?
You can request a quote for 1-Azepanyl-(4-methoxyphenyl)methanethione 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-methoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Azepanyl-(4-methoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.