Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)
TL;DR: Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) (CAS 13792-82-0) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(methoxycarbonylamino)phenyl] N-tert-butylcarbamate
Also Known As: Methyl m-hydroxycarbanilate, tert-butylcarbamate, CARBANILIC ACID, m-HYDROXY-, METHYL ESTER, tert-BUTYLCARBAMATE (ester), [3-(methoxycarbonylamino)phenyl] N-tert-butylcarbamate, Methyl m-hydroxycarbanilate,tert-butylcarbamate, 3-[(Methoxycarbonyl)amino]phenyl tert-butylcarbamate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 13792-82-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)OC |
| InChIKey | DOFXTEXQUDDDRF-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) (CAS 13792-82-0), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: [3-(methoxycarbonylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)
Property Insights of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester). The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester). Following Lipinski's Rule of Five, Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) 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 Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)?
The CAS number of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) is 13792-82-0.
What is the molecular formula of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)?
The molecular formula of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) is C13H18N2O4.
What is the molecular weight of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)?
The molecular weight of Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) is 266.13 g/mol.
Where can I buy Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)?
You can request a quote for Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-hydroxy-, methyl ester, tert-butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.