3-甲基-1-丁醇1,1',1''-磷酸酯
TL;DR: 3-甲基-1-丁醇1,1',1''-磷酸酯 (CAS 919-62-0) is a chemical compound with molecular formula C15H33O4P and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-1-丁醇1,1',1''-磷酸酯
tris(3-methylbutyl) phosphate
Also Known As: Phosphoric acid, triisoamyl ester, triisoamyl phosphate, tris(3-methylbutyl) phosphate, Phosphoric acid triisoamyl ester, Phosphoric acid,triisoamyl ester
| Molecular Formula | C15H33O4P |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 308.21164 |
| Heavy Atoms | 20 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 919-62-0 |
|---|---|
| SMILES | CC(C)CCOP(=O)(OCCC(C)C)OCCC(C)C |
| InChIKey | YQLIHRFKJJQBAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-1-丁醇1,1',1''-磷酸酯 (CAS 919-62-0), with molecular formula C15H33O4P and molecular weight 308.21 g/mol. IUPAC: tris(3-methylbutyl) phosphate.
Chemical Property Profile of 3-甲基-1-丁醇1,1',1''-磷酸酯
Property Insights of 3-甲基-1-丁醇1,1',1''-磷酸酯
The XLogP value of 4.3 indicates that 3-甲基-1-丁醇1,1',1''-磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-甲基-1-丁醇1,1',1''-磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-1-丁醇1,1',1''-磷酸酯 has 0 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 3-甲基-1-丁醇1,1',1''-磷酸酯?
The CAS number of 3-甲基-1-丁醇1,1',1''-磷酸酯 is 919-62-0.
What is the molecular formula of 3-甲基-1-丁醇1,1',1''-磷酸酯?
The molecular formula of 3-甲基-1-丁醇1,1',1''-磷酸酯 is C15H33O4P.
What is the molecular weight of 3-甲基-1-丁醇1,1',1''-磷酸酯?
The molecular weight of 3-甲基-1-丁醇1,1',1''-磷酸酯 is 308.21 g/mol.
Where can I buy 3-甲基-1-丁醇1,1',1''-磷酸酯?
You can request a quote for 3-甲基-1-丁醇1,1',1''-磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-1-丁醇1,1',1''-磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-1-丁醇1,1',1''-磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.