2-氯-3-羟基丁二酸
TL;DR: 2-氯-3-羟基丁二酸 (CAS 99803-32-4) is a chemical compound with molecular formula C4H5ClO5 and molecular weight 167.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3-羟基丁二酸
2-chloro-3-hydroxybutanedioic acid
Also Known As: 2-chloro-3-hydroxybutanedioic acid, Butanedioic acid, 2-chloro-3-hydroxy-, Butanedioic acid, 2-chloro-3-hydroxy-, (2R,3S)-2-chloro-3-hydroxybutanedioic acid
| Molecular Formula | C4H5ClO5 |
|---|---|
| Molecular Weight | 167.98 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.98254 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 99803-32-4 |
|---|---|
| SMILES | C(C(C(=O)O)Cl)(C(=O)O)O |
| InChIKey | RPYFCSSBCCDMQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-3-羟基丁二酸 (CAS 99803-32-4), with molecular formula C4H5ClO5 and molecular weight 167.98 g/mol. IUPAC: 2-chloro-3-hydroxybutanedioic acid.
Chemical Property Profile of 2-氯-3-羟基丁二酸
Property Insights of 2-氯-3-羟基丁二酸
The XLogP value of -0.6 indicates that 2-氯-3-羟基丁二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-3-羟基丁二酸. Following Lipinski's Rule of Five, 2-氯-3-羟基丁二酸 has 3 hydrogen bond donor(s) and 5 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-氯-3-羟基丁二酸?
The CAS number of 2-氯-3-羟基丁二酸 is 99803-32-4.
What is the molecular formula of 2-氯-3-羟基丁二酸?
The molecular formula of 2-氯-3-羟基丁二酸 is C4H5ClO5.
What is the molecular weight of 2-氯-3-羟基丁二酸?
The molecular weight of 2-氯-3-羟基丁二酸 is 167.98 g/mol.
Where can I buy 2-氯-3-羟基丁二酸?
You can request a quote for 2-氯-3-羟基丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3-羟基丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3-羟基丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.