methyl-N-(2,4-dinitrophenyl)carbamate
TL;DR: methyl-N-(2,4-dinitrophenyl)carbamate (CAS 29111-81-7) is a chemical compound with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2,4-dinitrophenyl)carbamate
Also Known As: Methyl N-(2,4-dinitrophenyl)carbamate, methyl-N-(2,4-dinitrophenyl)carbamate
| Molecular Formula | C8H7N3O6 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 1.6813 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.03348 |
| Heavy Atoms | 17 |
| Complexity | 486.1489 |
Chemical Identifiers
| CAS Number | 29111-81-7 |
|---|---|
| SMILES | COC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
methyl-N-(2,4-dinitrophenyl)carbamate (CAS 29111-81-7), with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol. IUPAC: methyl N-(2,4-dinitrophenyl)carbamate.
Chemical Property Profile of methyl-N-(2,4-dinitrophenyl)carbamate
Property Insights of methyl-N-(2,4-dinitrophenyl)carbamate
The XLogP value of 1.6813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl-N-(2,4-dinitrophenyl)carbamate. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl-N-(2,4-dinitrophenyl)carbamate. Following Lipinski's Rule of Five, methyl-N-(2,4-dinitrophenyl)carbamate has 1 hydrogen bond donor(s) and 6 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-N-(2,4-dinitrophenyl)carbamate?
The CAS number of methyl-N-(2,4-dinitrophenyl)carbamate is 29111-81-7.
What is the molecular formula of methyl-N-(2,4-dinitrophenyl)carbamate?
The molecular formula of methyl-N-(2,4-dinitrophenyl)carbamate is C8H7N3O6.
What is the molecular weight of methyl-N-(2,4-dinitrophenyl)carbamate?
The molecular weight of methyl-N-(2,4-dinitrophenyl)carbamate is 241.03 g/mol.
Where can I buy methyl-N-(2,4-dinitrophenyl)carbamate?
You can request a quote for methyl-N-(2,4-dinitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-N-(2,4-dinitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl-N-(2,4-dinitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.