二己基磷酸酯
TL;DR: 二己基磷酸酯 (CAS 3900-13-8) is a chemical compound with molecular formula C12H27O4P and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二己基磷酸酯
dihexyl hydrogen phosphate
Also Known As: Dihexyl hydrogen phosphate, dihexyl phosphate, dihexylphosphate, dihexylphosphoric acid, Phosphoric acid, dihexyl ester
| Molecular Formula | C12H27O4P |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 266.1647 |
| Heavy Atoms | 17 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 3900-13-8 |
|---|---|
| SMILES | CCCCCCOP(=O)(O)OCCCCCC |
| InChIKey | HUDSKKNIXMSHSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二己基磷酸酯 (CAS 3900-13-8), with molecular formula C12H27O4P and molecular weight 266.16 g/mol. IUPAC: dihexyl hydrogen phosphate.
Chemical Property Profile of 二己基磷酸酯
Property Insights of 二己基磷酸酯
The XLogP value of 3.7 indicates that 二己基磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 二己基磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二己基磷酸酯 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 二己基磷酸酯?
The CAS number of 二己基磷酸酯 is 3900-13-8.
What is the molecular formula of 二己基磷酸酯?
The molecular formula of 二己基磷酸酯 is C12H27O4P.
What is the molecular weight of 二己基磷酸酯?
The molecular weight of 二己基磷酸酯 is 266.16 g/mol.
Where can I buy 二己基磷酸酯?
You can request a quote for 二己基磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二己基磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二己基磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.