Diethyl 2-dibutoxyphosphorylbutanedioate
TL;DR: Diethyl 2-dibutoxyphosphorylbutanedioate (CAS 5440-35-7) is a chemical compound with molecular formula C16H31O7P and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-dibutoxyphosphorylbutanedioate
Also Known As: diethyl 2-dibutoxyphosphorylbutanedioate, diethyl 2-(dibutoxyphosphoryl)butanedioate, Dibutoxyphosphinylsuccinic acid diethyl ester, 1,4-diethyl 2-(dibutoxyphosphoryl)butanedioate, Dibutoxyphosphoryl-bernsteinsaeure-diaethylester
| Molecular Formula | C16H31O7P |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 366.18073 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 5440-35-7 |
|---|---|
| SMILES | CCCCOP(=O)(C(CC(=O)OCC)C(=O)OCC)OCCCC |
| InChIKey | QBEFPXQICQAOSO-UHFFFAOYSA-N |
Product Overview
Diethyl 2-dibutoxyphosphorylbutanedioate (CAS 5440-35-7), with molecular formula C16H31O7P and molecular weight 366.18 g/mol. IUPAC: diethyl 2-dibutoxyphosphorylbutanedioate.
Chemical Property Profile of Diethyl 2-dibutoxyphosphorylbutanedioate
Property Insights of Diethyl 2-dibutoxyphosphorylbutanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-dibutoxyphosphorylbutanedioate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-dibutoxyphosphorylbutanedioate. Following Lipinski's Rule of Five, Diethyl 2-dibutoxyphosphorylbutanedioate has 0 hydrogen bond donor(s) and 7 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-dibutoxyphosphorylbutanedioate?
The CAS number of Diethyl 2-dibutoxyphosphorylbutanedioate is 5440-35-7.
What is the molecular formula of Diethyl 2-dibutoxyphosphorylbutanedioate?
The molecular formula of Diethyl 2-dibutoxyphosphorylbutanedioate is C16H31O7P.
What is the molecular weight of Diethyl 2-dibutoxyphosphorylbutanedioate?
The molecular weight of Diethyl 2-dibutoxyphosphorylbutanedioate is 366.18 g/mol.
Where can I buy Diethyl 2-dibutoxyphosphorylbutanedioate?
You can request a quote for Diethyl 2-dibutoxyphosphorylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-dibutoxyphosphorylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-dibutoxyphosphorylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.