4-Chloronicotinic acid
TL;DR: 4-Chloronicotinic acid (CAS 58710-66-0) is a chemical compound with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[2-(methoxycarbonylamino)phenyl]carbamothioyl]carbamate
Also Known As: 4-Chloronicotinic acid, [[[2-[(METHOXYCARBONYL)AMINO]PHENYL]AMINO]THIOXOMETHYL]-CARBAMIC ACID METHYL ESTER, methyl N-[[2-(methoxycarbonylamino)phenyl]carbamothioyl]carbamate, Methyl N-[2-(methoxycarbonylthiocarbamoylamino)phenyl]carbamate, [[[2-[ AMINO]PHENYL]AMINO]THIOXOMETHYL]-CARBAMICACIDMETHYLESTER
| Molecular Formula | C11H13N3O4S |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 1.9177 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.06268 |
| Heavy Atoms | 19 |
| Complexity | 492.58356 |
Chemical Identifiers
| CAS Number | 58710-66-0 |
|---|---|
| SMILES | COC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC |
Product Overview
4-Chloronicotinic acid (CAS 58710-66-0), with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol. IUPAC: methyl N-[[2-(methoxycarbonylamino)phenyl]carbamothioyl]carbamate.
Chemical Property Profile of 4-Chloronicotinic acid
Property Insights of 4-Chloronicotinic acid
The XLogP value of 1.9177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloronicotinic acid. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloronicotinic acid. Following Lipinski's Rule of Five, 4-Chloronicotinic acid has 3 hydrogen bond donor(s) and 5 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-Chloronicotinic acid?
The CAS number of 4-Chloronicotinic acid is 58710-66-0.
What is the molecular formula of 4-Chloronicotinic acid?
The molecular formula of 4-Chloronicotinic acid is C11H13N3O4S.
What is the molecular weight of 4-Chloronicotinic acid?
The molecular weight of 4-Chloronicotinic acid is 283.06 g/mol.
Where can I buy 4-Chloronicotinic acid?
You can request a quote for 4-Chloronicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloronicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloronicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.