Dibutyl 3-oxobutan-2-yl phosphate
TL;DR: Dibutyl 3-oxobutan-2-yl phosphate (CAS 91689-85-9) is a chemical compound with molecular formula C12H25O5P and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 3-oxobutan-2-yl phosphate
Also Known As: dibutyl 3-oxobutan-2-yl phosphate
| Molecular Formula | C12H25O5P |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.14395 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 91689-85-9 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC(C)C(=O)C |
| InChIKey | RZQZIYDSKPKWFW-UHFFFAOYSA-N |
Product Overview
Dibutyl 3-oxobutan-2-yl phosphate (CAS 91689-85-9), with molecular formula C12H25O5P and molecular weight 280.14 g/mol. IUPAC: dibutyl 3-oxobutan-2-yl phosphate.
Chemical Property Profile of Dibutyl 3-oxobutan-2-yl phosphate
Property Insights of Dibutyl 3-oxobutan-2-yl phosphate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl 3-oxobutan-2-yl phosphate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 3-oxobutan-2-yl phosphate. Following Lipinski's Rule of Five, Dibutyl 3-oxobutan-2-yl phosphate has 0 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 Dibutyl 3-oxobutan-2-yl phosphate?
The CAS number of Dibutyl 3-oxobutan-2-yl phosphate is 91689-85-9.
What is the molecular formula of Dibutyl 3-oxobutan-2-yl phosphate?
The molecular formula of Dibutyl 3-oxobutan-2-yl phosphate is C12H25O5P.
What is the molecular weight of Dibutyl 3-oxobutan-2-yl phosphate?
The molecular weight of Dibutyl 3-oxobutan-2-yl phosphate is 280.14 g/mol.
Where can I buy Dibutyl 3-oxobutan-2-yl phosphate?
You can request a quote for Dibutyl 3-oxobutan-2-yl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 3-oxobutan-2-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 3-oxobutan-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.