Diethyl 2-(3-hydroxypropyl)propanedioate
TL;DR: Diethyl 2-(3-hydroxypropyl)propanedioate (CAS 73691-01-7) is a chemical compound with molecular formula C10H18O5 and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-hydroxypropyl)propanedioate
Also Known As: diethyl 2-(3-hydroxypropyl)propanedioate, Diethyl 2-(3-hydroxypropyl)malonate, Diethyl (3-hydroxypropyl)propanedioate, diethyl 2-(3-hydroxypropyl)propane-1,3-dioate, 2-(3-Hydroxypropyl)propanedioic acid diethyl ester
| Molecular Formula | C10H18O5 |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.11542 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 73691-01-7 |
|---|---|
| SMILES | CCOC(=O)C(CCCO)C(=O)OCC |
| InChIKey | PPPDSAOLWPGOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(3-hydroxypropyl)propanedioate (CAS 73691-01-7), with molecular formula C10H18O5 and molecular weight 218.12 g/mol. IUPAC: diethyl 2-(3-hydroxypropyl)propanedioate.
Chemical Property Profile of Diethyl 2-(3-hydroxypropyl)propanedioate
Property Insights of Diethyl 2-(3-hydroxypropyl)propanedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3-hydroxypropyl)propanedioate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3-hydroxypropyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3-hydroxypropyl)propanedioate has 1 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 Diethyl 2-(3-hydroxypropyl)propanedioate?
The CAS number of Diethyl 2-(3-hydroxypropyl)propanedioate is 73691-01-7.
What is the molecular formula of Diethyl 2-(3-hydroxypropyl)propanedioate?
The molecular formula of Diethyl 2-(3-hydroxypropyl)propanedioate is C10H18O5.
What is the molecular weight of Diethyl 2-(3-hydroxypropyl)propanedioate?
The molecular weight of Diethyl 2-(3-hydroxypropyl)propanedioate is 218.12 g/mol.
Where can I buy Diethyl 2-(3-hydroxypropyl)propanedioate?
You can request a quote for Diethyl 2-(3-hydroxypropyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3-hydroxypropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3-hydroxypropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.