S-Ethyl 2-oxoazepane-1-carbothioate
TL;DR: S-Ethyl 2-oxoazepane-1-carbothioate (CAS 24928-89-0) is a chemical compound with molecular formula C9H15NO2S and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-oxoazepane-1-carbothioate
Also Known As: 2-Ketomolinate, S-Ethyl 2-oxoazepane-1-carbothioate, 1-ethylsulfanylcarbonylazepan-2-one, S-Ethyl2-oxoazepane-1-carbothioate, 1-[(ETHYLSULFANYL)CARBONYL]AZEPAN-2-ONE
| Molecular Formula | C9H15NO2S |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.08235 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 24928-89-0 |
|---|---|
| SMILES | CCSC(=O)N1CCCCCC1=O |
| InChIKey | UUJZYIUAPPVYMH-UHFFFAOYSA-N |
Product Overview
S-Ethyl 2-oxoazepane-1-carbothioate (CAS 24928-89-0), with molecular formula C9H15NO2S and molecular weight 201.08 g/mol. IUPAC: S-ethyl 2-oxoazepane-1-carbothioate.
Chemical Property Profile of S-Ethyl 2-oxoazepane-1-carbothioate
Property Insights of S-Ethyl 2-oxoazepane-1-carbothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl 2-oxoazepane-1-carbothioate. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 2-oxoazepane-1-carbothioate. Following Lipinski's Rule of Five, S-Ethyl 2-oxoazepane-1-carbothioate has 0 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 S-Ethyl 2-oxoazepane-1-carbothioate?
The CAS number of S-Ethyl 2-oxoazepane-1-carbothioate is 24928-89-0.
What is the molecular formula of S-Ethyl 2-oxoazepane-1-carbothioate?
The molecular formula of S-Ethyl 2-oxoazepane-1-carbothioate is C9H15NO2S.
What is the molecular weight of S-Ethyl 2-oxoazepane-1-carbothioate?
The molecular weight of S-Ethyl 2-oxoazepane-1-carbothioate is 201.08 g/mol.
Where can I buy S-Ethyl 2-oxoazepane-1-carbothioate?
You can request a quote for S-Ethyl 2-oxoazepane-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 2-oxoazepane-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 2-oxoazepane-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.