Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester
TL;DR: Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester (CAS 96009-64-2) is a chemical compound with molecular formula C17H25NOS and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-cyclohexyl N-(4-phenylbutyl)carbamothioate
Also Known As: S-cyclohexyl (4-phenylbutyl)carbamothioate, Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester, S-cyclohexyl N-(4-phenylbutyl)carbamothioate, 1-cyclohexylsulfanyl-N-(4-phenylbutyl)formamide
| Molecular Formula | C17H25NOS |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.16568 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 96009-64-2 |
|---|---|
| SMILES | C1CCC(CC1)SC(=O)NCCCCC2=CC=CC=C2 |
| InChIKey | YMXWZLKGXRCBTF-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester (CAS 96009-64-2), with molecular formula C17H25NOS and molecular weight 291.17 g/mol. IUPAC: S-cyclohexyl N-(4-phenylbutyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester
Property Insights of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester
The XLogP value of 5.0 indicates that Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester 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 Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester?
The CAS number of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester is 96009-64-2.
What is the molecular formula of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester?
The molecular formula of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester is C17H25NOS.
What is the molecular weight of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester?
The molecular weight of Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester is 291.17 g/mol.
Where can I buy Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester?
You can request a quote for Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.