氯丁二酸
TL;DR: 氯丁二酸 (CAS 16045-92-4) is a chemical compound with molecular formula C4H5ClO4 and molecular weight 151.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯丁二酸
2-chlorobutanedioic acid
Also Known As: CHLOROSUCCINIC ACID, 2-Chlorobutanedioic acid, 2-Chlorosuccinic acid, chlorobutanedioic acid, CHLOROSUCCINICACID
| Molecular Formula | C4H5ClO4 |
|---|---|
| Molecular Weight | 151.99 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.98764 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 16045-92-4 |
|---|---|
| SMILES | C(C(C(=O)O)Cl)C(=O)O |
| InChIKey | QEGKXSHUKXMDRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯丁二酸 (CAS 16045-92-4), with molecular formula C4H5ClO4 and molecular weight 151.99 g/mol. IUPAC: 2-chlorobutanedioic acid.
Chemical Property Profile of 氯丁二酸
Property Insights of 氯丁二酸
The XLogP value of -0.1 indicates that 氯丁二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯丁二酸. Following Lipinski's Rule of Five, 氯丁二酸 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 氯丁二酸?
The CAS number of 氯丁二酸 is 16045-92-4.
What is the molecular formula of 氯丁二酸?
The molecular formula of 氯丁二酸 is C4H5ClO4.
What is the molecular weight of 氯丁二酸?
The molecular weight of 氯丁二酸 is 151.99 g/mol.
Where can I buy 氯丁二酸?
You can request a quote for 氯丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯丁二酸?
Yes, KEHONG BIO provides custom synthesis services for 氯丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.