4-Amino-3,5-xylyl N-methylcarbamate
TL;DR: 4-Amino-3,5-xylyl N-methylcarbamate (CAS 831-76-5) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3,5-dimethylphenyl) N-methylcarbamate
Also Known As: Aminozectran, Amino mexacarbate, 4-amino-3,5-xylyl methylcarbamate, Methylcarbamic acid 4-amino-3,5-xylyl ester, (4-amino-3,5-dimethylphenyl) N-methylcarbamate
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 831-76-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)C)OC(=O)NC |
| InChIKey | WUCVFDPUWPSAKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-xylyl N-methylcarbamate (CAS 831-76-5), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: (4-amino-3,5-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-Amino-3,5-xylyl N-methylcarbamate
Property Insights of 4-Amino-3,5-xylyl N-methylcarbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-xylyl N-methylcarbamate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3,5-xylyl N-methylcarbamate. Following Lipinski's Rule of Five, 4-Amino-3,5-xylyl N-methylcarbamate 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 4-Amino-3,5-xylyl N-methylcarbamate?
The CAS number of 4-Amino-3,5-xylyl N-methylcarbamate is 831-76-5.
What is the molecular formula of 4-Amino-3,5-xylyl N-methylcarbamate?
The molecular formula of 4-Amino-3,5-xylyl N-methylcarbamate is C10H14N2O2.
What is the molecular weight of 4-Amino-3,5-xylyl N-methylcarbamate?
The molecular weight of 4-Amino-3,5-xylyl N-methylcarbamate is 194.11 g/mol.
Where can I buy 4-Amino-3,5-xylyl N-methylcarbamate?
You can request a quote for 4-Amino-3,5-xylyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-xylyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-xylyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.