衣康酸
TL;DR: 衣康酸 (CAS 97-65-4) is a chemical compound with molecular formula C5H6O4 and molecular weight 130.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
衣康酸
2-methylidenebutanedioic acid
Also Known As: Itaconic acid, 2-Methylenesuccinic acid, itaconate, 2-methylidenebutanedioic acid, Methylenebutanedioic acid
| Molecular Formula | C5H6O4 |
|---|---|
| Molecular Weight | 130.03 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 | 130.02661 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
| Melting Point | 162-164 °C WITH DECOMP, ALSO REPORTED AS 172 °C |
| Boiling Point | 268 °C, SUBLIMES |
| Density | 1.632 |
| Solubility | 1 G DISSOLVES IN 12 ML WATER, 5 ML ALC; VERY SLIGHTLY SOL IN BENZENE, CHLOROFORM, CARBON DISULFIDE, PETROLEUM ETHER |
Chemical Identifiers
| CAS Number | 97-65-4 |
|---|---|
| SMILES | C=C(CC(=O)O)C(=O)O |
| InChIKey | LVHBHZANLOWSRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
衣康酸 (CAS 97-65-4), with molecular formula C5H6O4 and molecular weight 130.03 g/mol. IUPAC: 2-methylidenebutanedioic acid.
Chemical Property Profile of 衣康酸
Property Insights of 衣康酸
The XLogP value of -0.1 indicates that 衣康酸 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 衣康酸. Following Lipinski's Rule of Five, 衣康酸 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 衣康酸?
The CAS number of 衣康酸 is 97-65-4.
What is the molecular formula of 衣康酸?
The molecular formula of 衣康酸 is C5H6O4.
What is the molecular weight of 衣康酸?
The molecular weight of 衣康酸 is 130.03 g/mol.
Where can I buy 衣康酸?
You can request a quote for 衣康酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 衣康酸?
Yes, KEHONG BIO provides custom synthesis services for 衣康酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.