Hexyl dihydrogen phosphate
TL;DR: Hexyl dihydrogen phosphate (CAS 3900-04-7) is a chemical compound with molecular formula C6H15O4P and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl dihydrogen phosphate
Also Known As: Monohexyl phosphate, Hexyl dihydrogen phosphate, HEXYL PHOSPHATE, n-hexyl phosphate, C3-9-Alkyl phosphates
| Molecular Formula | C6H15O4P |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.0708 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 3900-04-7 |
|---|---|
| SMILES | CCCCCCOP(=O)(O)O |
| InChIKey | PHNWGDTYCJFUGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl dihydrogen phosphate (CAS 3900-04-7), with molecular formula C6H15O4P and molecular weight 182.07 g/mol. IUPAC: hexyl dihydrogen phosphate.
Chemical Property Profile of Hexyl dihydrogen phosphate
Property Insights of Hexyl dihydrogen phosphate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl dihydrogen phosphate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexyl dihydrogen phosphate. Following Lipinski's Rule of Five, Hexyl dihydrogen phosphate has 2 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 Hexyl dihydrogen phosphate?
The CAS number of Hexyl dihydrogen phosphate is 3900-04-7.
What is the molecular formula of Hexyl dihydrogen phosphate?
The molecular formula of Hexyl dihydrogen phosphate is C6H15O4P.
What is the molecular weight of Hexyl dihydrogen phosphate?
The molecular weight of Hexyl dihydrogen phosphate is 182.07 g/mol.
Where can I buy Hexyl dihydrogen phosphate?
You can request a quote for Hexyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.