1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea
TL;DR: 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea (CAS 486997-79-9) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(2-oxothiolan-3-yl)urea
Also Known As: 1-(4-methylphenyl)-3-(2-oxothiolan-3-yl)urea, N-(4-methylphenyl)-N'-(2-oxotetrahydro-3-thienyl)urea, 3-(4-methylphenyl)-1-(2-oxothiolan-3-yl)urea, AI-204/31690064
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.14862 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 430.6367 |
Chemical Identifiers
| CAS Number | 486997-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2CCSC2=O |
Product Overview
1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea (CAS 486997-79-9), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 1-(4-methylphenyl)-3-(2-oxothiolan-3-yl)urea.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea
Property Insights of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea
The XLogP value of 2.14862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea 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 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea?
The CAS number of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea is 486997-79-9.
What is the molecular formula of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea?
The molecular formula of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea is C12H14N2O2S.
What is the molecular weight of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea?
The molecular weight of 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea is 250.08 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea?
You can request a quote for 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(2-oxothiolan-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.