Phosphoric acid, mono(3-methylbutyl) monooctyl ester
TL;DR: Phosphoric acid, mono(3-methylbutyl) monooctyl ester (CAS 4396-06-9) is a chemical compound with molecular formula C13H29O4P and molecular weight 280.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl octyl hydrogen phosphate
Also Known As: isopentyloctylhydrogenphosphate, 3-methylbutyl octyl hydrogen phosphate, Isopentyl octyl hydrogen phosphate, Phosphoric acid, mono(3-methylbutyl) monooctyl ester, (3-methylbutoxy)(octyloxy)phosphinic acid
| Molecular Formula | C13H29O4P |
|---|---|
| Molecular Weight | 280.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.18036 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 4396-06-9 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(O)OCCC(C)C |
| InChIKey | VKAOXRFKUSQLKG-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, mono(3-methylbutyl) monooctyl ester (CAS 4396-06-9), with molecular formula C13H29O4P and molecular weight 280.18 g/mol. IUPAC: 3-methylbutyl octyl hydrogen phosphate.
Chemical Property Profile of Phosphoric acid, mono(3-methylbutyl) monooctyl ester
Property Insights of Phosphoric acid, mono(3-methylbutyl) monooctyl ester
The XLogP value of 4.1 indicates that Phosphoric acid, mono(3-methylbutyl) monooctyl 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, mono(3-methylbutyl) monooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, mono(3-methylbutyl) monooctyl ester has 1 hydrogen bond donor(s) and 4 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 Phosphoric acid, mono(3-methylbutyl) monooctyl ester?
The CAS number of Phosphoric acid, mono(3-methylbutyl) monooctyl ester is 4396-06-9.
What is the molecular formula of Phosphoric acid, mono(3-methylbutyl) monooctyl ester?
The molecular formula of Phosphoric acid, mono(3-methylbutyl) monooctyl ester is C13H29O4P.
What is the molecular weight of Phosphoric acid, mono(3-methylbutyl) monooctyl ester?
The molecular weight of Phosphoric acid, mono(3-methylbutyl) monooctyl ester is 280.18 g/mol.
Where can I buy Phosphoric acid, mono(3-methylbutyl) monooctyl ester?
You can request a quote for Phosphoric acid, mono(3-methylbutyl) monooctyl 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, mono(3-methylbutyl) monooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, mono(3-methylbutyl) monooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.