Propanedioic acid, (hydroxymethyl)-
TL;DR: Propanedioic acid, (hydroxymethyl)- (CAS 4360-96-7) 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-(hydroxymethyl)propanedioic acid
Also Known As: beta-Isomalic acid, .alpha.-isomalic acid, hydroxymethylmalonic acid, hydroxymethyl-malonic acid, 2-(Hydroxymethyl)malonic Acid
| Molecular Formula | C4H6O5 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.02153 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 4360-96-7 |
|---|---|
| SMILES | C(C(C(=O)O)C(=O)O)O |
| InChIKey | PPVBGPLECSKJDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, (hydroxymethyl)- (CAS 4360-96-7), with molecular formula C4H6O5 and molecular weight 134.02 g/mol. IUPAC: 2-(hydroxymethyl)propanedioic acid.
Chemical Property Profile of Propanedioic acid, (hydroxymethyl)-
Property Insights of Propanedioic acid, (hydroxymethyl)-
The XLogP value of -1.2 indicates that Propanedioic acid, (hydroxymethyl)- 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 Propanedioic acid, (hydroxymethyl)-. Following Lipinski's Rule of Five, Propanedioic acid, (hydroxymethyl)- 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 Propanedioic acid, (hydroxymethyl)-?
The CAS number of Propanedioic acid, (hydroxymethyl)- is 4360-96-7.
What is the molecular formula of Propanedioic acid, (hydroxymethyl)-?
The molecular formula of Propanedioic acid, (hydroxymethyl)- is C4H6O5.
What is the molecular weight of Propanedioic acid, (hydroxymethyl)-?
The molecular weight of Propanedioic acid, (hydroxymethyl)- is 134.02 g/mol.
Where can I buy Propanedioic acid, (hydroxymethyl)-?
You can request a quote for Propanedioic acid, (hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.