2-Propynyl m-hydroxycarbanilate methylcarbamate
TL;DR: 2-Propynyl m-hydroxycarbanilate methylcarbamate (CAS 19961-91-2) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(prop-2-ynoxycarbonylamino)phenyl] N-methylcarbamate
Also Known As: 2-Propynyl m-hydroxycarbanilate methylcarbamate, 2-Propynyl m-hydroxycarbanilate, methylcarbamate, CARBANILIC ACID, m-HYDROXY-, 2-PROPYNYL ESTER, METHYLCARBAMATE, m-Hydroxycarbanilic acid 2-propynyl ester methylcarbamate, [3-(prop-2-ynoxycarbonylamino)phenyl] N-methylcarbamate
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 19961-91-2 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC(=C1)NC(=O)OCC#C |
| InChIKey | HBHBCFNTVTYFCY-UHFFFAOYSA-N |
Product Overview
2-Propynyl m-hydroxycarbanilate methylcarbamate (CAS 19961-91-2), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: [3-(prop-2-ynoxycarbonylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of 2-Propynyl m-hydroxycarbanilate methylcarbamate
Property Insights of 2-Propynyl m-hydroxycarbanilate methylcarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynyl m-hydroxycarbanilate methylcarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propynyl m-hydroxycarbanilate methylcarbamate. Following Lipinski's Rule of Five, 2-Propynyl m-hydroxycarbanilate methylcarbamate 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 2-Propynyl m-hydroxycarbanilate methylcarbamate?
The CAS number of 2-Propynyl m-hydroxycarbanilate methylcarbamate is 19961-91-2.
What is the molecular formula of 2-Propynyl m-hydroxycarbanilate methylcarbamate?
The molecular formula of 2-Propynyl m-hydroxycarbanilate methylcarbamate is C12H12N2O4.
What is the molecular weight of 2-Propynyl m-hydroxycarbanilate methylcarbamate?
The molecular weight of 2-Propynyl m-hydroxycarbanilate methylcarbamate is 248.08 g/mol.
Where can I buy 2-Propynyl m-hydroxycarbanilate methylcarbamate?
You can request a quote for 2-Propynyl m-hydroxycarbanilate methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynyl m-hydroxycarbanilate methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynyl m-hydroxycarbanilate methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.