![1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea structure](/static/products/876/87623-19-6.png)
1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
TL;DR: 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea (CAS 87623-19-6) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
Also Known As: 1-methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea, N-Methyl-N'-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 87623-19-6 |
|---|---|
| SMILES | CC1(OCCS1)C2=CC(=CC=C2)NC(=O)NC |
| InChIKey | CUTYUASQPSPNRU-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea (CAS 87623-19-6), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: 1-methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea.
Chemical Property Profile of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
Property Insights of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea. Following Lipinski's Rule of Five, 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]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-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea?
The CAS number of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea is 87623-19-6.
What is the molecular formula of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea?
The molecular formula of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea is C12H16N2O2S.
What is the molecular weight of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea?
The molecular weight of 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea is 252.09 g/mol.
Where can I buy 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea?
You can request a quote for 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.