甲基丙二酸
TL;DR: 甲基丙二酸 (CAS 516-05-2) is a chemical compound with molecular formula C4H6O4 and molecular weight 118.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基丙二酸
2-methylpropanedioic acid
Also Known As: Methylmalonic acid, 2-Methylmalonic acid, 2-Methylpropanedioic acid, Isosuccinic acid, methylmalonate
| Molecular Formula | C4H6O4 |
|---|---|
| Molecular Weight | 118.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.02661 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
| Melting Point | 135 |
| Solubility | 679000 |
Chemical Identifiers
| CAS Number | 516-05-2 |
|---|---|
| SMILES | CC(C(=O)O)C(=O)O |
| InChIKey | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基丙二酸 (CAS 516-05-2), with molecular formula C4H6O4 and molecular weight 118.03 g/mol. IUPAC: 2-methylpropanedioic acid.
Chemical Property Profile of 甲基丙二酸
Property Insights of 甲基丙二酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基丙二酸. Following Lipinski's Rule of Five, 甲基丙二酸 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 甲基丙二酸?
The CAS number of 甲基丙二酸 is 516-05-2.
What is the molecular formula of 甲基丙二酸?
The molecular formula of 甲基丙二酸 is C4H6O4.
What is the molecular weight of 甲基丙二酸?
The molecular weight of 甲基丙二酸 is 118.03 g/mol.
Where can I buy 甲基丙二酸?
You can request a quote for 甲基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 甲基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.