Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester
TL;DR: Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester (CAS 4654-46-0) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-nitrophenyl) N-methylcarbamate
Also Known As: 4-Nitro-3,5-xylyl methylcarbamate, Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester, 3,5-dimethyl-4-nitrophenyl methylcarbamate, 4-Nitro-3,5-xylenyl-N-methylcarbamat, (3,5-dimethyl-4-nitrophenyl) N-methylcarbamate
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.92984 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 419.44034 |
Chemical Identifiers
| CAS Number | 4654-46-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)OC(=O)NC |
Product Overview
Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester (CAS 4654-46-0), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: (3,5-dimethyl-4-nitrophenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester
Property Insights of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester
The XLogP value of 1.92984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester 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 Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester?
The CAS number of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester is 4654-46-0.
What is the molecular formula of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester?
The molecular formula of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester is C10H12N2O4.
What is the molecular weight of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester?
The molecular weight of Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester is 224.08 g/mol.
Where can I buy Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester?
You can request a quote for Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 4-nitro-3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.