![1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea structure](/static/products/812/81263-11-8.png)
1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
TL;DR: 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea (CAS 81263-11-8) is a chemical compound with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
Also Known As: 1-methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea, N-Methyl-N'-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
| Molecular Formula | C12H16N2OS2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0704 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 81263-11-8 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=C(C=C2)NC(=O)NC |
| InChIKey | ZCOOGDLDEJSUGB-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea (CAS 81263-11-8), with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol. IUPAC: 1-methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea.
Chemical Property Profile of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
Property Insights of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea. Following Lipinski's Rule of Five, 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-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-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea?
The CAS number of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea is 81263-11-8.
What is the molecular formula of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea?
The molecular formula of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea is C12H16N2OS2.
What is the molecular weight of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea?
The molecular weight of 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea is 268.07 g/mol.
Where can I buy 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea?
You can request a quote for 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-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-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.