Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester
TL;DR: Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester (CAS 631-23-2) is a chemical compound with molecular formula C9H16O6 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(hydroxymethyl)propanedioate
Also Known As: Diethyl bis(hydroxymethyl)malonate, Diethyl 2,2-bis(hydroxymethyl)malonate, diethyl 2,2-bis(hydroxymethyl)propanedioate, Propanedioic acid, bis(hydroxymethyl)-, diethyl ester, 1,3-diethyl 2,2-bis(hydroxymethyl)propanedioate
| Molecular Formula | C9H16O6 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.09468 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 631-23-2 |
|---|---|
| SMILES | CCOC(=O)C(CO)(CO)C(=O)OCC |
| InChIKey | WIOHBOKEUIHYIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester (CAS 631-23-2), with molecular formula C9H16O6 and molecular weight 220.09 g/mol. IUPAC: diethyl 2,2-bis(hydroxymethyl)propanedioate.
Chemical Property Profile of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester
Property Insights of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester
The XLogP value of -0.6 indicates that Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester has 2 hydrogen bond donor(s) and 6 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, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester?
The CAS number of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester is 631-23-2.
What is the molecular formula of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester?
The molecular formula of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester is C9H16O6.
What is the molecular weight of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester?
The molecular weight of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester is 220.09 g/mol.
Where can I buy Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester?
You can request a quote for Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.