3-氯-5-异噁唑甲酸
TL;DR: 3-氯-5-异噁唑甲酸 (CAS 20724-56-5) is a chemical compound with molecular formula C4H2ClNO3 and molecular weight 146.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-5-异噁唑甲酸
3-chloro-1,2-oxazole-5-carboxylic acid
Also Known As: 3-Chloroisoxazole-5-carboxylic acid, 3-chloro-1,2-oxazole-5-carboxylic acid, 3-Chloro-5-isoxazolecarboxylic acid, 5-ISOXAZOLECARBOXYLIC ACID, 3-CHLORO-, 3-Chloroisoxazole-5-carboxylicacid
| Molecular Formula | C4H2ClNO3 |
|---|---|
| Molecular Weight | 146.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.97232 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 20724-56-5 |
|---|---|
| SMILES | C1=C(ON=C1Cl)C(=O)O |
| InChIKey | IDKGQUZZCFRJHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-5-异噁唑甲酸 (CAS 20724-56-5), with molecular formula C4H2ClNO3 and molecular weight 146.97 g/mol. IUPAC: 3-chloro-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-氯-5-异噁唑甲酸
Property Insights of 3-氯-5-异噁唑甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-5-异噁唑甲酸. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氯-5-异噁唑甲酸. Following Lipinski's Rule of Five, 3-氯-5-异噁唑甲酸 has 1 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 3-氯-5-异噁唑甲酸?
The CAS number of 3-氯-5-异噁唑甲酸 is 20724-56-5.
What is the molecular formula of 3-氯-5-异噁唑甲酸?
The molecular formula of 3-氯-5-异噁唑甲酸 is C4H2ClNO3.
What is the molecular weight of 3-氯-5-异噁唑甲酸?
The molecular weight of 3-氯-5-异噁唑甲酸 is 146.97 g/mol.
Where can I buy 3-氯-5-异噁唑甲酸?
You can request a quote for 3-氯-5-异噁唑甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-5-异噁唑甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-5-异噁唑甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.