丙酮二酸
TL;DR: 丙酮二酸 (CAS 473-90-5) is a chemical compound with molecular formula C3H2O5 and molecular weight 117.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酮二酸
2-oxopropanedioic acid
Also Known As: Oxomalonic acid, Ketomalonic acid, MESOXALIC ACID, 2-Oxomalonic acid, Mesoxalate
| Molecular Formula | C3H2O5 |
|---|---|
| Molecular Weight | 117.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.99023 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 473-90-5 |
|---|---|
| SMILES | C(=O)(C(=O)O)C(=O)O |
| InChIKey | XEEVLJKYYUVTRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酮二酸 (CAS 473-90-5), with molecular formula C3H2O5 and molecular weight 117.99 g/mol. IUPAC: 2-oxopropanedioic acid.
Chemical Property Profile of 丙酮二酸
Property Insights of 丙酮二酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酮二酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 丙酮二酸. Following Lipinski's Rule of Five, 丙酮二酸 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 丙酮二酸?
The CAS number of 丙酮二酸 is 473-90-5.
What is the molecular formula of 丙酮二酸?
The molecular formula of 丙酮二酸 is C3H2O5.
What is the molecular weight of 丙酮二酸?
The molecular weight of 丙酮二酸 is 117.99 g/mol.
Where can I buy 丙酮二酸?
You can request a quote for 丙酮二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酮二酸?
Yes, KEHONG BIO provides custom synthesis services for 丙酮二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.