2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid
TL;DR: 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid (CAS 20110-66-1) is a chemical compound with molecular formula C12H10ClN3O2S and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid
Also Known As: NCIStruc1_000479, NCIStruc2_000624, NCI60_004194, 2-Amino-6-((2-chlorobenzyl)thio)pyrimidine-4-carboxylic acid, 2-amino-6-[(2-chlorobenzyl)sulfanyl]pyrimidine-4-carboxylic acid
| Molecular Formula | C12H10ClN3O2S |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.01822 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 20110-66-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=NC(=C2)C(=O)O)N)Cl |
| InChIKey | CKEXOMJXKGGKGZ-UHFFFAOYSA-N |
Product Overview
2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid (CAS 20110-66-1), with molecular formula C12H10ClN3O2S and molecular weight 295.02 g/mol. IUPAC: 2-amino-6-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid.
Chemical Property Profile of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid
Property Insights of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid has 2 hydrogen bond donor(s) and 6 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-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid?
The CAS number of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid is 20110-66-1.
What is the molecular formula of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid?
The molecular formula of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid is C12H10ClN3O2S.
What is the molecular weight of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid?
The molecular weight of 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid is 295.02 g/mol.
Where can I buy 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid?
You can request a quote for 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.