2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate
TL;DR: 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate (CAS 68138-34-1) is a chemical compound with molecular formula C22H20Cl2N3O6- and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloropyridine-2-carboxylic acid;N-[3-(methoxycarbonylamino)-3-methylcyclohexa-1,5-dien-1-yl]-N-phenylcarbamate
Also Known As: 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate, 3,6-dichloropyridine-2-carboxylic acid; N-[3-(methoxycarbonylamino)-3-methylcyclohexa-1,5-dien-1-yl]-N-phenylcarbamate
| Molecular Formula | C22H20Cl2N3O6- |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 3.8814 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.0729 |
| Heavy Atoms | 33 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 68138-34-1 |
|---|---|
| SMILES | CC1(CC=CC(=C1)N(C2=CC=CC=C2)C(=O)[O-])NC(=O)OC.C1=CC(=NC(=C1Cl)C(=O)O)Cl |
| InChIKey | AIQCGVFRNSDPBM-UHFFFAOYSA-M |
Product Overview
2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate (CAS 68138-34-1), with molecular formula C22H20Cl2N3O6- and molecular weight 492.07 g/mol. IUPAC: 3,6-dichloropyridine-2-carboxylic acid;N-[3-(methoxycarbonylamino)-3-methylcyclohexa-1,5-dien-1-yl]-N-phenylcarbamate.
Chemical Property Profile of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate
Property Insights of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate
The XLogP value of 3.8814 indicates that 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate. Following Lipinski's Rule of Five, 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate has 2 hydrogen bond donor(s) and 7 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-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate?
The CAS number of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate is 68138-34-1.
What is the molecular formula of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate?
The molecular formula of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate is C22H20Cl2N3O6-.
What is the molecular weight of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate?
The molecular weight of 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate is 492.07 g/mol.
Where can I buy 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate?
You can request a quote for 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.