Butyl bis(3-hydroxybutyl) phosphate
TL;DR: Butyl bis(3-hydroxybutyl) phosphate (CAS 89197-71-7) is a chemical compound with molecular formula C12H27O6P and molecular weight 298.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl bis(3-hydroxybutyl) phosphate
Also Known As: butyl bis(3-hydroxybutyl) phosphate, 4-(Butoxy(3-hydroxybutoxy)phosphoryl)oxybutan-2-ol, 4-(butoxy-(3-hydroxybutoxy)phosphoryl)oxybutan-2-ol
| Molecular Formula | C12H27O6P |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 298.1545 |
| Heavy Atoms | 19 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 89197-71-7 |
|---|---|
| SMILES | CCCCOP(=O)(OCCC(C)O)OCCC(C)O |
| InChIKey | JHESNFKBLVTNHI-UHFFFAOYSA-N |
Product Overview
Butyl bis(3-hydroxybutyl) phosphate (CAS 89197-71-7), with molecular formula C12H27O6P and molecular weight 298.15 g/mol. IUPAC: butyl bis(3-hydroxybutyl) phosphate.
Chemical Property Profile of Butyl bis(3-hydroxybutyl) phosphate
Property Insights of Butyl bis(3-hydroxybutyl) phosphate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl bis(3-hydroxybutyl) phosphate. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl bis(3-hydroxybutyl) phosphate. Following Lipinski's Rule of Five, Butyl bis(3-hydroxybutyl) phosphate has 2 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 Butyl bis(3-hydroxybutyl) phosphate?
The CAS number of Butyl bis(3-hydroxybutyl) phosphate is 89197-71-7.
What is the molecular formula of Butyl bis(3-hydroxybutyl) phosphate?
The molecular formula of Butyl bis(3-hydroxybutyl) phosphate is C12H27O6P.
What is the molecular weight of Butyl bis(3-hydroxybutyl) phosphate?
The molecular weight of Butyl bis(3-hydroxybutyl) phosphate is 298.15 g/mol.
Where can I buy Butyl bis(3-hydroxybutyl) phosphate?
You can request a quote for Butyl bis(3-hydroxybutyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl bis(3-hydroxybutyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Butyl bis(3-hydroxybutyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.