Phosphonic acid, bis(1,3-dimethylbutyl) ester
TL;DR: Phosphonic acid, bis(1,3-dimethylbutyl) ester (CAS 13086-86-7) is a chemical compound with molecular formula C12H26O3P+ and molecular weight 249.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylpentan-2-yloxy)-oxophosphanium
Also Known As: Bis(1,3-dimethylbutyl) phosphonate, EINECS 235-997-3, Bis(4-methylpentan-2-yl) phosphonate, Phosphonic acid, bis(1,3-dimethylbutyl) ester, bis(4-methylpentan-2-yloxy)-oxophosphanium
| Molecular Formula | C12H26O3P+ |
|---|---|
| Molecular Weight | 249.16 g/mol |
| LogP | 4.5462 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.16196 |
| Heavy Atoms | 16 |
| Complexity | 184.44055 |
Chemical Identifiers
| CAS Number | 13086-86-7 |
|---|---|
| SMILES | CC(C)CC(C)O[P+](=O)OC(C)CC(C)C |
Product Overview
Phosphonic acid, bis(1,3-dimethylbutyl) ester (CAS 13086-86-7), with molecular formula C12H26O3P+ and molecular weight 249.16 g/mol. IUPAC: bis(4-methylpentan-2-yloxy)-oxophosphanium.
Chemical Property Profile of Phosphonic acid, bis(1,3-dimethylbutyl) ester
Property Insights of Phosphonic acid, bis(1,3-dimethylbutyl) ester
The XLogP value of 4.5462 indicates that Phosphonic acid, bis(1,3-dimethylbutyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonic acid, bis(1,3-dimethylbutyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, bis(1,3-dimethylbutyl) ester has 0 hydrogen bond donor(s) and 3 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 Phosphonic acid, bis(1,3-dimethylbutyl) ester?
The CAS number of Phosphonic acid, bis(1,3-dimethylbutyl) ester is 13086-86-7.
What is the molecular formula of Phosphonic acid, bis(1,3-dimethylbutyl) ester?
The molecular formula of Phosphonic acid, bis(1,3-dimethylbutyl) ester is C12H26O3P+.
What is the molecular weight of Phosphonic acid, bis(1,3-dimethylbutyl) ester?
The molecular weight of Phosphonic acid, bis(1,3-dimethylbutyl) ester is 249.16 g/mol.
Where can I buy Phosphonic acid, bis(1,3-dimethylbutyl) ester?
You can request a quote for Phosphonic acid, bis(1,3-dimethylbutyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, bis(1,3-dimethylbutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, bis(1,3-dimethylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.