Methyl (4-methyl-2-nitrophenyl)carbamate
TL;DR: Methyl (4-methyl-2-nitrophenyl)carbamate (CAS 29111-73-7) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-methyl-2-nitrophenyl)carbamate
Also Known As: methyl (4-methyl-2-nitrophenyl)carbamate, methyl N-(4-methyl-2-nitrophenyl)carbamate, methoxy-N-(4-methyl-2-nitrophenyl)carboxamide, Methyl hydrogen (4-methyl-2-nitrophenyl)carbonimidate
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 29111-73-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)OC)[N+](=O)[O-] |
| InChIKey | ZVDQXXVABSAEGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (4-methyl-2-nitrophenyl)carbamate (CAS 29111-73-7), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: methyl N-(4-methyl-2-nitrophenyl)carbamate.
Chemical Property Profile of Methyl (4-methyl-2-nitrophenyl)carbamate
Property Insights of Methyl (4-methyl-2-nitrophenyl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-methyl-2-nitrophenyl)carbamate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-methyl-2-nitrophenyl)carbamate. Following Lipinski's Rule of Five, Methyl (4-methyl-2-nitrophenyl)carbamate has 1 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 Methyl (4-methyl-2-nitrophenyl)carbamate?
The CAS number of Methyl (4-methyl-2-nitrophenyl)carbamate is 29111-73-7.
What is the molecular formula of Methyl (4-methyl-2-nitrophenyl)carbamate?
The molecular formula of Methyl (4-methyl-2-nitrophenyl)carbamate is C9H10N2O4.
What is the molecular weight of Methyl (4-methyl-2-nitrophenyl)carbamate?
The molecular weight of Methyl (4-methyl-2-nitrophenyl)carbamate is 210.06 g/mol.
Where can I buy Methyl (4-methyl-2-nitrophenyl)carbamate?
You can request a quote for Methyl (4-methyl-2-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-methyl-2-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-methyl-2-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.