O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate
TL;DR: O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate (CAS 444794-44-9) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylphenyl) N-(4-hydroxyphenyl)carbamothioate
Also Known As: O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate, O-(4-methylphenyl) N-(4-hydroxyphenyl)carbamothioate, AJ-087/15497014
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.47642 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 485.22537 |
Chemical Identifiers
| CAS Number | 444794-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=S)NC2=CC=C(C=C2)O |
Product Overview
O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate (CAS 444794-44-9), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: O-(4-methylphenyl) N-(4-hydroxyphenyl)carbamothioate.
Chemical Property Profile of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate
Property Insights of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate
The XLogP value of 3.47642 indicates that O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate has 2 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 O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate?
The CAS number of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate is 444794-44-9.
What is the molecular formula of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate?
The molecular formula of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate is C14H13NO2S.
What is the molecular weight of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate?
The molecular weight of O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate is 259.07 g/mol.
Where can I buy O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate?
You can request a quote for O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-methylphenyl) 4-hydroxyphenylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.