4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
TL;DR: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide (CAS 727995-52-0) is a chemical compound with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
Also Known As: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide, A3811/0161758, 4-(1-azepanylcarbonyl)-N-(4-methoxyphenyl)-1-piperidinecarbothioamide, 4-(azepan-1-ylcarbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide, 4-(1-AZEPANYLCARBONYL)-N~1~-(4-METHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C20H29N3O2S |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 3.5066 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.19806 |
| Heavy Atoms | 26 |
| Complexity | 603.98724 |
Chemical Identifiers
| CAS Number | 727995-52-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCCCCC3 |
Product Overview
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide (CAS 727995-52-0), with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol. IUPAC: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide.
Chemical Property Profile of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
Property Insights of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
The XLogP value of 3.5066 indicates that 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide has 1 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 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The CAS number of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide is 727995-52-0.
What is the molecular formula of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The molecular formula of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide is C20H29N3O2S.
What is the molecular weight of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide?
The molecular weight of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide is 375.20 g/mol.
Where can I buy 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide?
You can request a quote for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.