Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester
TL;DR: Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester (CAS 7507-03-1) is a chemical compound with molecular formula C18H39O4P and molecular weight 350.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,6-dimethylheptan-4-yl) hydrogen phosphate
Also Known As: Bis(2,6-dimethyl-4-heptyl)phosphoric acid, Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester, Bis(1-isobutyl-3-methylbutyl) phosphate, bis(2,6-dimethylheptan-4-yl) hydrogen phosphate, 4-Heptanol, 2,6-dimethyl-, hydrogen phosphate
| Molecular Formula | C18H39O4P |
|---|---|
| Molecular Weight | 350.26 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 350.2586 |
| Heavy Atoms | 23 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 7507-03-1 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)OP(=O)(O)OC(CC(C)C)CC(C)C |
| InChIKey | IRLUWWHPOIQGGL-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester (CAS 7507-03-1), with molecular formula C18H39O4P and molecular weight 350.26 g/mol. IUPAC: bis(2,6-dimethylheptan-4-yl) hydrogen phosphate.
Chemical Property Profile of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester
Property Insights of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester
The XLogP value of 5.9 indicates that Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester?
The CAS number of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester is 7507-03-1.
What is the molecular formula of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester?
The molecular formula of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester is C18H39O4P.
What is the molecular weight of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester?
The molecular weight of Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester is 350.26 g/mol.
Where can I buy Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester?
You can request a quote for Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, bis(1-isobutyl-3-methylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.