4-氨基苯基甲基氨基甲酸酯
TL;DR: 4-氨基苯基甲基氨基甲酸酯 (CAS 20120-72-3) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基苯基甲基氨基甲酸酯
(4-aminophenyl) N-methylcarbamate
Also Known As: Methylcarbamic acid 4-aminophenyl ester, 4-aminophenyl methylcarbamate, (4-aminophenyl) N-methylcarbamate, CARBAMIC ACID, METHYL-, 4-AMINOPHENYL ESTER, BRN 2209618
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 20120-72-3 |
|---|---|
| SMILES | CNC(=O)OC1=CC=C(C=C1)N |
| InChIKey | JFANLKHJWWLSAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基苯基甲基氨基甲酸酯 (CAS 20120-72-3), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: (4-aminophenyl) N-methylcarbamate.
Chemical Property Profile of 4-氨基苯基甲基氨基甲酸酯
Property Insights of 4-氨基苯基甲基氨基甲酸酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基苯基甲基氨基甲酸酯. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基苯基甲基氨基甲酸酯. Following Lipinski's Rule of Five, 4-氨基苯基甲基氨基甲酸酯 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-氨基苯基甲基氨基甲酸酯?
The CAS number of 4-氨基苯基甲基氨基甲酸酯 is 20120-72-3.
What is the molecular formula of 4-氨基苯基甲基氨基甲酸酯?
The molecular formula of 4-氨基苯基甲基氨基甲酸酯 is C8H10N2O2.
What is the molecular weight of 4-氨基苯基甲基氨基甲酸酯?
The molecular weight of 4-氨基苯基甲基氨基甲酸酯 is 166.07 g/mol.
Where can I buy 4-氨基苯基甲基氨基甲酸酯?
You can request a quote for 4-氨基苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.