Diethyl 2,2-diethoxybutanedioate
TL;DR: Diethyl 2,2-diethoxybutanedioate (CAS 7071-01-4) is a chemical compound with molecular formula C12H22O6 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-diethoxybutanedioate
Also Known As: diethyl 2,2-diethoxybutanedioate, 2,2-diethoxy-succinic acid diethyl ester
| Molecular Formula | C12H22O6 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.14163 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 7071-01-4 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)(OCC)OCC |
| InChIKey | GMDZMSXVABMKLN-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2-diethoxybutanedioate (CAS 7071-01-4), with molecular formula C12H22O6 and molecular weight 262.14 g/mol. IUPAC: diethyl 2,2-diethoxybutanedioate.
Chemical Property Profile of Diethyl 2,2-diethoxybutanedioate
Property Insights of Diethyl 2,2-diethoxybutanedioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2-diethoxybutanedioate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2-diethoxybutanedioate. Following Lipinski's Rule of Five, Diethyl 2,2-diethoxybutanedioate has 0 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 Diethyl 2,2-diethoxybutanedioate?
The CAS number of Diethyl 2,2-diethoxybutanedioate is 7071-01-4.
What is the molecular formula of Diethyl 2,2-diethoxybutanedioate?
The molecular formula of Diethyl 2,2-diethoxybutanedioate is C12H22O6.
What is the molecular weight of Diethyl 2,2-diethoxybutanedioate?
The molecular weight of Diethyl 2,2-diethoxybutanedioate is 262.14 g/mol.
Where can I buy Diethyl 2,2-diethoxybutanedioate?
You can request a quote for Diethyl 2,2-diethoxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-diethoxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-diethoxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.