S-ethyl N-butyl-N-phenethylcarbamothioate
TL;DR: S-ethyl N-butyl-N-phenethylcarbamothioate (CAS 13089-45-7) is a chemical compound with molecular formula C15H23NOS and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-butyl-N-(2-phenylethyl)carbamothioate
Also Known As: S-ethyl N-butyl-N-phenethylcarbamothioate, s-ethyl butyl(2-phenylethyl)carbamothioate, N-butyl-1-ethylsulfanyl-N-phenethyl-formamide, Carbamothioic acid, butyl(2-phenylethyl)-, S-ethyl ester
| Molecular Formula | C15H23NOS |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.15002 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 13089-45-7 |
|---|---|
| SMILES | CCCCN(CCC1=CC=CC=C1)C(=O)SCC |
| InChIKey | DDKYBVMLFZHOMV-UHFFFAOYSA-N |
Product Overview
S-ethyl N-butyl-N-phenethylcarbamothioate (CAS 13089-45-7), with molecular formula C15H23NOS and molecular weight 265.15 g/mol. IUPAC: S-ethyl N-butyl-N-(2-phenylethyl)carbamothioate.
Chemical Property Profile of S-ethyl N-butyl-N-phenethylcarbamothioate
Property Insights of S-ethyl N-butyl-N-phenethylcarbamothioate
The XLogP value of 4.2 indicates that S-ethyl N-butyl-N-phenethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-ethyl N-butyl-N-phenethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-butyl-N-phenethylcarbamothioate 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 S-ethyl N-butyl-N-phenethylcarbamothioate?
The CAS number of S-ethyl N-butyl-N-phenethylcarbamothioate is 13089-45-7.
What is the molecular formula of S-ethyl N-butyl-N-phenethylcarbamothioate?
The molecular formula of S-ethyl N-butyl-N-phenethylcarbamothioate is C15H23NOS.
What is the molecular weight of S-ethyl N-butyl-N-phenethylcarbamothioate?
The molecular weight of S-ethyl N-butyl-N-phenethylcarbamothioate is 265.15 g/mol.
Where can I buy S-ethyl N-butyl-N-phenethylcarbamothioate?
You can request a quote for S-ethyl N-butyl-N-phenethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl N-butyl-N-phenethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-butyl-N-phenethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.