异丙基间羟基苯胺甲基氨基甲酸酯
TL;DR: 异丙基间羟基苯胺甲基氨基甲酸酯 (CAS 13684-90-7) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基间羟基苯胺甲基氨基甲酸酯
[3-(propan-2-yloxycarbonylamino)phenyl] N-methylcarbamate
Also Known As: Isopropyl m-hydroxycarbanilate methylcarbamate, CARBANILIC ACID, m-HYDROXY-, ISOPROPYL ESTER, METHYLCARBAMATE (ester), Isopropyl m-hydroxycarbanilate, methylcarbamate, [3-(propan-2-yloxycarbonylamino)phenyl] N-methylcarbamate, Carbanilic acid, isopropyl ester, methylcarbamate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 13684-90-7 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=CC=C1)OC(=O)NC |
| InChIKey | FBLVWMVUQZTUFU-UHFFFAOYSA-N |
Product Overview
异丙基间羟基苯胺甲基氨基甲酸酯 (CAS 13684-90-7), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: [3-(propan-2-yloxycarbonylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of 异丙基间羟基苯胺甲基氨基甲酸酯
Property Insights of 异丙基间羟基苯胺甲基氨基甲酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基间羟基苯胺甲基氨基甲酸酯. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丙基间羟基苯胺甲基氨基甲酸酯. Following Lipinski's Rule of Five, 异丙基间羟基苯胺甲基氨基甲酸酯 has 2 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 异丙基间羟基苯胺甲基氨基甲酸酯?
The CAS number of 异丙基间羟基苯胺甲基氨基甲酸酯 is 13684-90-7.
What is the molecular formula of 异丙基间羟基苯胺甲基氨基甲酸酯?
The molecular formula of 异丙基间羟基苯胺甲基氨基甲酸酯 is C12H16N2O4.
What is the molecular weight of 异丙基间羟基苯胺甲基氨基甲酸酯?
The molecular weight of 异丙基间羟基苯胺甲基氨基甲酸酯 is 252.11 g/mol.
Where can I buy 异丙基间羟基苯胺甲基氨基甲酸酯?
You can request a quote for 异丙基间羟基苯胺甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基间羟基苯胺甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基间羟基苯胺甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.