4-Methylphenyl(methylsulfonyl)carbamic isocyanate
TL;DR: 4-Methylphenyl(methylsulfonyl)carbamic isocyanate (CAS 885457-41-0) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea
Also Known As: 4-methylphenyl(methylsulfonyl)carbamic isocyanate, N-(4-METHYLPHENYL)CARBAMOYL ISOCYANATE, 4-methylphenyl(methylsulfonyl)carbamicisocyanate, 1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 1.21682 |
| Topological Polar Surface Area | 83.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 570.82837 |
Chemical Identifiers
| CAS Number | 885457-41-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C(=O)N=C=O)S(=O)(=O)C |
Product Overview
4-Methylphenyl(methylsulfonyl)carbamic isocyanate (CAS 885457-41-0), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea.
Chemical Property Profile of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate
Property Insights of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate
The XLogP value of 1.21682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl(methylsulfonyl)carbamic isocyanate. The TPSA of 83.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl(methylsulfonyl)carbamic isocyanate. Following Lipinski's Rule of Five, 4-Methylphenyl(methylsulfonyl)carbamic isocyanate has 0 hydrogen bond donor(s) and 4 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 4-Methylphenyl(methylsulfonyl)carbamic isocyanate?
The CAS number of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate is 885457-41-0.
What is the molecular formula of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate?
The molecular formula of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate is C10H10N2O4S.
What is the molecular weight of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate?
The molecular weight of 4-Methylphenyl(methylsulfonyl)carbamic isocyanate is 254.04 g/mol.
Where can I buy 4-Methylphenyl(methylsulfonyl)carbamic isocyanate?
You can request a quote for 4-Methylphenyl(methylsulfonyl)carbamic isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl(methylsulfonyl)carbamic isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl(methylsulfonyl)carbamic isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.