2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid
TL;DR: 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid (CAS 329268-86-2) is a chemical compound with molecular formula C9H12ClN3O2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-5-chloropyrimidine-4-carboxylic acid
Also Known As: 2-(butylamino)-5-chloropyrimidine-4-carboxylic acid, J2.511.755G, 2-(Butylamino)-5-chloro-4-pyrimidinecarboxylic acid, 2-butylamino-5-chloro-pyrimidine-4-carboxylic Acid
| Molecular Formula | C9H12ClN3O2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 2.0402 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.0618 |
| Heavy Atoms | 15 |
| Complexity | 357.21072 |
Chemical Identifiers
| CAS Number | 329268-86-2 |
|---|---|
| SMILES | CCCCNC1=NC=C(C(=N1)C(=O)O)Cl |
Product Overview
2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid (CAS 329268-86-2), with molecular formula C9H12ClN3O2 and molecular weight 229.06 g/mol. IUPAC: 2-(butylamino)-5-chloropyrimidine-4-carboxylic acid.
Chemical Property Profile of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid
Property Insights of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid
The XLogP value of 2.0402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid 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-(Butylamino)-5-chloropyrimidine-4-carboxylic acid?
The CAS number of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid is 329268-86-2.
What is the molecular formula of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid?
The molecular formula of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid is C9H12ClN3O2.
What is the molecular weight of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid?
The molecular weight of 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid is 229.06 g/mol.
Where can I buy 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid?
You can request a quote for 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-5-chloropyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.