(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
TL;DR: (2S)-2-(4-chloropyrazol-1-yl)propanoic acid (CAS 180845-46-9) is a chemical compound with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
Also Known As: BAS 13527706, (2S)-2-(4-chloropyrazol-1-yl)propanoic acid, 2-(4-chloro-1H-pyrazol-1-yl)propanoic acid
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 1.1821 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 271.30093 |
Chemical Identifiers
| CAS Number | 180845-46-9 |
|---|---|
| SMILES | C[C@@H](C(=O)O)N1C=C(C=N1)Cl |
Product Overview
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid (CAS 180845-46-9), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: (2S)-2-(4-chloropyrazol-1-yl)propanoic acid.
Chemical Property Profile of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid
Property Insights of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid
The XLogP value of 1.1821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-chloropyrazol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, (2S)-2-(4-chloropyrazol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(4-chloropyrazol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 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 (2S)-2-(4-chloropyrazol-1-yl)propanoic acid?
The CAS number of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid is 180845-46-9.
What is the molecular formula of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid?
The molecular formula of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid is C6H7ClN2O2.
What is the molecular weight of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid?
The molecular weight of (2S)-2-(4-chloropyrazol-1-yl)propanoic acid is 174.02 g/mol.
Where can I buy (2S)-2-(4-chloropyrazol-1-yl)propanoic acid?
You can request a quote for (2S)-2-(4-chloropyrazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-chloropyrazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-chloropyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.