2,2-二羟基-3-氧代丁酸
TL;DR: 2,2-二羟基-3-氧代丁酸 (CAS 97230-97-2) is a chemical compound with molecular formula C4H6O5 and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二羟基-3-氧代丁酸
2,2-dihydroxy-3-oxobutanoic acid
Also Known As: Isomalic acid, Isopropyl sulfone, Methyltartronic acid, bisoxy diacetic acid, 2,2-dihydroxy-3-oxobutanoic acid
| Molecular Formula | C4H6O5 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.02153 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 97230-97-2 |
|---|---|
| SMILES | CC(=O)C(C(=O)O)(O)O |
| InChIKey | HVDFUVLFCQSGAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二羟基-3-氧代丁酸 (CAS 97230-97-2), with molecular formula C4H6O5 and molecular weight 134.02 g/mol. IUPAC: 2,2-dihydroxy-3-oxobutanoic acid.
Chemical Property Profile of 2,2-二羟基-3-氧代丁酸
Property Insights of 2,2-二羟基-3-氧代丁酸
The XLogP value of -1.7 indicates that 2,2-二羟基-3-氧代丁酸 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 2,2-二羟基-3-氧代丁酸. Following Lipinski's Rule of Five, 2,2-二羟基-3-氧代丁酸 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 2,2-二羟基-3-氧代丁酸?
The CAS number of 2,2-二羟基-3-氧代丁酸 is 97230-97-2.
What is the molecular formula of 2,2-二羟基-3-氧代丁酸?
The molecular formula of 2,2-二羟基-3-氧代丁酸 is C4H6O5.
What is the molecular weight of 2,2-二羟基-3-氧代丁酸?
The molecular weight of 2,2-二羟基-3-氧代丁酸 is 134.02 g/mol.
Where can I buy 2,2-二羟基-3-氧代丁酸?
You can request a quote for 2,2-二羟基-3-氧代丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二羟基-3-氧代丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二羟基-3-氧代丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.