Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate
TL;DR: Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate (CAS 6952-96-1) is a chemical compound with molecular formula C14H22O8 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-ethoxy-1-oxopropan-2-yl) butanedioate
Also Known As: bis(1-ethoxy-1-oxopropan-2-yl) butanedioate, butanedioic acid bis-(1-ethoxycarbonyl-ethyl) ester, 2,9-Dimethyl-4,7-dioxo-3,8-dioxa-decandisaeure-diaethylester, Butanedioic acid,1,4-bis(2-ethoxy-1-methyl-2-oxoethyl) ester, 2,9-dimethyl-4,7-dioxo-3,8-dioxadecanedioic acid diethyl ester
| Molecular Formula | C14H22O8 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 318.13147 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6952-96-1 |
|---|---|
| SMILES | CCOC(=O)C(C)OC(=O)CCC(=O)OC(C)C(=O)OCC |
| InChIKey | VCVKXBZJTZVRND-UHFFFAOYSA-N |
Product Overview
Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate (CAS 6952-96-1), with molecular formula C14H22O8 and molecular weight 318.13 g/mol. IUPAC: bis(1-ethoxy-1-oxopropan-2-yl) butanedioate.
Chemical Property Profile of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate
Property Insights of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate. Following Lipinski's Rule of Five, Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate has 0 hydrogen bond donor(s) and 8 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 Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate?
The CAS number of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate is 6952-96-1.
What is the molecular formula of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate?
The molecular formula of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate is C14H22O8.
What is the molecular weight of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate?
The molecular weight of Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate is 318.13 g/mol.
Where can I buy Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate?
You can request a quote for Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-ethoxy-1-oxopropan-2-yl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.