丙酮二羧酸
TL;DR: 丙酮二羧酸 (CAS 542-05-2) is a chemical compound with molecular formula C5H6O5 and molecular weight 146.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酮二羧酸
3-oxopentanedioic acid
Also Known As: 3-oxopentanedioic acid, 1,3-Acetonedicarboxylic acid, 3-Oxoglutaric acid, Acetonedicarboxylic acid, acetone-1,3-dicarboxylic acid
| Molecular Formula | C5H6O5 |
|---|---|
| Molecular Weight | 146.02 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.02153 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
| Melting Point | 138 °C |
Chemical Identifiers
| CAS Number | 542-05-2 |
|---|---|
| SMILES | C(C(=O)CC(=O)O)C(=O)O |
| InChIKey | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酮二羧酸 (CAS 542-05-2), with molecular formula C5H6O5 and molecular weight 146.02 g/mol. IUPAC: 3-oxopentanedioic acid.
Chemical Property Profile of 丙酮二羧酸
Property Insights of 丙酮二羧酸
The XLogP value of -0.7 indicates that 丙酮二羧酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙酮二羧酸. Following Lipinski's Rule of Five, 丙酮二羧酸 has 2 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 丙酮二羧酸?
The CAS number of 丙酮二羧酸 is 542-05-2.
What is the molecular formula of 丙酮二羧酸?
The molecular formula of 丙酮二羧酸 is C5H6O5.
What is the molecular weight of 丙酮二羧酸?
The molecular weight of 丙酮二羧酸 is 146.02 g/mol.
Where can I buy 丙酮二羧酸?
You can request a quote for 丙酮二羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酮二羧酸?
Yes, KEHONG BIO provides custom synthesis services for 丙酮二羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.