Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester
TL;DR: Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester (CAS 96009-49-3) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N-(3-phenylpropyl)carbamothioate
Also Known As: Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester, O-butan-2-yl N-(3-phenylpropyl)carbamothioate, 1-butan-2-yloxy-N-(3-phenylpropyl)methanethioamide, O-Butan-2-yl hydrogen (3-phenylpropyl)carbonimidothioate, O-(Butan-2-yl) hydrogen (3-phenylpropyl)carbonimidothioate
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.3088 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 326.2539 |
Chemical Identifiers
| CAS Number | 96009-49-3 |
|---|---|
| SMILES | CCC(C)OC(=S)NCCCC1=CC=CC=C1 |
Product Overview
Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester (CAS 96009-49-3), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: O-butan-2-yl N-(3-phenylpropyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester
Property Insights of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester
The XLogP value of 3.3088 indicates that Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (3-phenylpropyl)-, S-butyl 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, (3-phenylpropyl)-, S-butyl ester?
The CAS number of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester is 96009-49-3.
What is the molecular formula of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester?
The molecular formula of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester is C14H21NOS.
What is the molecular weight of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester?
The molecular weight of Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester is 251.13 g/mol.
Where can I buy Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester?
You can request a quote for Carbamothioic acid, (3-phenylpropyl)-, S-butyl 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, (3-phenylpropyl)-, S-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (3-phenylpropyl)-, S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.