磷酸单辛酯
TL;DR: 磷酸单辛酯 (CAS 3991-73-9) is a chemical compound with molecular formula C8H19O4P and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸单辛酯
octyl dihydrogen phosphate
Also Known As: Octyl dihydrogen phosphate, Octylphosphate, MONOOCTYL PHOSPHATE, Monooctylphosphoric acid, Octyl phosphate
| Molecular Formula | C8H19O4P |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.1021 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 3991-73-9 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(O)O |
| InChIKey | WRKCIHRWQZQBOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸单辛酯 (CAS 3991-73-9), with molecular formula C8H19O4P and molecular weight 210.10 g/mol. IUPAC: octyl dihydrogen phosphate.
Chemical Property Profile of 磷酸单辛酯
Property Insights of 磷酸单辛酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸单辛酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸单辛酯. Following Lipinski's Rule of Five, 磷酸单辛酯 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 磷酸单辛酯?
The CAS number of 磷酸单辛酯 is 3991-73-9.
What is the molecular formula of 磷酸单辛酯?
The molecular formula of 磷酸单辛酯 is C8H19O4P.
What is the molecular weight of 磷酸单辛酯?
The molecular weight of 磷酸单辛酯 is 210.10 g/mol.
Where can I buy 磷酸单辛酯?
You can request a quote for 磷酸单辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸单辛酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸单辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.