1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate
TL;DR: 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate (CAS 7153-98-2) 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(3,5,5-trimethylhexyl) hydrogen phosphate
Also Known As: Bis(3,5,5-trimethylhexyl) hydrogen phosphate, Bis(3,5,5-trimethylhexyl) phosphate, Bis(3,5,5-trimethylhexyl)phosphate, 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate, Phosphoric acid, bis(3,5,5-trimethylhexyl) ester
| Molecular Formula | C18H39O4P |
|---|---|
| Molecular Weight | 350.26 g/mol |
| LogP | 5.8 |
| 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 | 336.0 |
Chemical Identifiers
| CAS Number | 7153-98-2 |
|---|---|
| SMILES | CC(CCOP(=O)(O)OCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | LPOAIFBVIQAMFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate (CAS 7153-98-2), with molecular formula C18H39O4P and molecular weight 350.26 g/mol. IUPAC: bis(3,5,5-trimethylhexyl) hydrogen phosphate.
Chemical Property Profile of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate
Property Insights of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate
The XLogP value of 5.8 indicates that 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate 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 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate?
The CAS number of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate is 7153-98-2.
What is the molecular formula of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate?
The molecular formula of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate is C18H39O4P.
What is the molecular weight of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate?
The molecular weight of 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate is 350.26 g/mol.
Where can I buy 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate?
You can request a quote for 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 3,5,5-trimethyl-, hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.