1,4-Diethyl 2-(hydroxymethylene)butanedioate
TL;DR: 1,4-Diethyl 2-(hydroxymethylene)butanedioate (CAS 14273-44-0) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(hydroxymethylidene)butanedioate
Also Known As: Diethyl 2-(hydroxymethylidene)butanedioate, Diethyl 2-(hydroxymethylene)succinate, 1,4-Diethyl 2-(hydroxymethylene)butanedioate, RefChem:220491
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 0.9446 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 231.35681 |
Chemical Identifiers
| CAS Number | 14273-44-0 |
|---|---|
| SMILES | CCOC(=O)CC(=CO)C(=O)OCC |
Product Overview
1,4-Diethyl 2-(hydroxymethylene)butanedioate (CAS 14273-44-0), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: diethyl 2-(hydroxymethylidene)butanedioate.
Chemical Property Profile of 1,4-Diethyl 2-(hydroxymethylene)butanedioate
Property Insights of 1,4-Diethyl 2-(hydroxymethylene)butanedioate
The XLogP value of 0.9446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diethyl 2-(hydroxymethylene)butanedioate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diethyl 2-(hydroxymethylene)butanedioate. Following Lipinski's Rule of Five, 1,4-Diethyl 2-(hydroxymethylene)butanedioate 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 1,4-Diethyl 2-(hydroxymethylene)butanedioate?
The CAS number of 1,4-Diethyl 2-(hydroxymethylene)butanedioate is 14273-44-0.
What is the molecular formula of 1,4-Diethyl 2-(hydroxymethylene)butanedioate?
The molecular formula of 1,4-Diethyl 2-(hydroxymethylene)butanedioate is C9H14O5.
What is the molecular weight of 1,4-Diethyl 2-(hydroxymethylene)butanedioate?
The molecular weight of 1,4-Diethyl 2-(hydroxymethylene)butanedioate is 202.08 g/mol.
Where can I buy 1,4-Diethyl 2-(hydroxymethylene)butanedioate?
You can request a quote for 1,4-Diethyl 2-(hydroxymethylene)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diethyl 2-(hydroxymethylene)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diethyl 2-(hydroxymethylene)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.