(3-Isocyanato-4-methylphenyl)carbamic acid
TL;DR: (3-Isocyanato-4-methylphenyl)carbamic acid (CAS 26488-57-3) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-isocyanato-4-methylphenyl)carbamic acid
Also Known As: (3-isocyanato-4-methylphenyl)carbamic acid, Carbamic acid, (3-isocyanato-4-methylphenyl)-, N-(3-Isocyanato-4-methylphenyl)carbamic acid, (3-isocyanato-4-methyl-phenyl)carbamic Acid, Carbamic acid,(3-isocyanato-4-methylphenyl)
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.05222 |
| Topological Polar Surface Area | 78.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 408.51813 |
Chemical Identifiers
| CAS Number | 26488-57-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)O)N=C=O |
Product Overview
(3-Isocyanato-4-methylphenyl)carbamic acid (CAS 26488-57-3), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: (3-isocyanato-4-methylphenyl)carbamic acid.
Chemical Property Profile of (3-Isocyanato-4-methylphenyl)carbamic acid
Property Insights of (3-Isocyanato-4-methylphenyl)carbamic acid
The XLogP value of 2.05222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Isocyanato-4-methylphenyl)carbamic acid. The TPSA of 78.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Isocyanato-4-methylphenyl)carbamic acid. Following Lipinski's Rule of Five, (3-Isocyanato-4-methylphenyl)carbamic acid 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 (3-Isocyanato-4-methylphenyl)carbamic acid?
The CAS number of (3-Isocyanato-4-methylphenyl)carbamic acid is 26488-57-3.
What is the molecular formula of (3-Isocyanato-4-methylphenyl)carbamic acid?
The molecular formula of (3-Isocyanato-4-methylphenyl)carbamic acid is C9H8N2O3.
What is the molecular weight of (3-Isocyanato-4-methylphenyl)carbamic acid?
The molecular weight of (3-Isocyanato-4-methylphenyl)carbamic acid is 192.05 g/mol.
Where can I buy (3-Isocyanato-4-methylphenyl)carbamic acid?
You can request a quote for (3-Isocyanato-4-methylphenyl)carbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Isocyanato-4-methylphenyl)carbamic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Isocyanato-4-methylphenyl)carbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.