O-(4-tert-Butylphenyl) phenylcarbamothioate
TL;DR: O-(4-tert-Butylphenyl) phenylcarbamothioate (CAS 13522-34-4) is a chemical compound with molecular formula C17H19NOS and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-tert-butylphenyl) N-phenylcarbamothioate
Also Known As: O-(4-tert-Butylphenyl) phenylcarbamothioate, O-(4-tert-butylphenyl) N-phenylcarbamothioate, N-PHENYL-1-(4-TERT-BUTYLPHENOXY)METHANETHIOAMIDE
| Molecular Formula | C17H19NOS |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 4.7599 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.11874 |
| Heavy Atoms | 20 |
| Complexity | 570.189 |
Chemical Identifiers
| CAS Number | 13522-34-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=S)NC2=CC=CC=C2 |
Product Overview
O-(4-tert-Butylphenyl) phenylcarbamothioate (CAS 13522-34-4), with molecular formula C17H19NOS and molecular weight 285.12 g/mol. IUPAC: O-(4-tert-butylphenyl) N-phenylcarbamothioate.
Chemical Property Profile of O-(4-tert-Butylphenyl) phenylcarbamothioate
Property Insights of O-(4-tert-Butylphenyl) phenylcarbamothioate
The XLogP value of 4.7599 indicates that O-(4-tert-Butylphenyl) phenylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-(4-tert-Butylphenyl) phenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-tert-Butylphenyl) phenylcarbamothioate 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 O-(4-tert-Butylphenyl) phenylcarbamothioate?
The CAS number of O-(4-tert-Butylphenyl) phenylcarbamothioate is 13522-34-4.
What is the molecular formula of O-(4-tert-Butylphenyl) phenylcarbamothioate?
The molecular formula of O-(4-tert-Butylphenyl) phenylcarbamothioate is C17H19NOS.
What is the molecular weight of O-(4-tert-Butylphenyl) phenylcarbamothioate?
The molecular weight of O-(4-tert-Butylphenyl) phenylcarbamothioate is 285.12 g/mol.
Where can I buy O-(4-tert-Butylphenyl) phenylcarbamothioate?
You can request a quote for O-(4-tert-Butylphenyl) phenylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-tert-Butylphenyl) phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-tert-Butylphenyl) phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.