异辛基磷酸单酯
TL;DR: 异辛基磷酸单酯 (CAS 12645-53-3) 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.
异辛基磷酸单酯
6-methylheptyl dihydrogen phosphate
Also Known As: Isooctyl phosphate, Isooctyl monophosphate, Monoisooctyl phosphate, Isodecanoic acid, 6-methylheptyl dihydrogen phosphate
| Molecular Formula | C8H19O4P |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1021 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 12645-53-3 |
|---|---|
| SMILES | CC(C)CCCCCOP(=O)(O)O |
| InChIKey | RQINQJTUMGQYOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异辛基磷酸单酯 (CAS 12645-53-3), with molecular formula C8H19O4P and molecular weight 210.10 g/mol. IUPAC: 6-methylheptyl dihydrogen phosphate.
Chemical Property Profile of 异辛基磷酸单酯
Property Insights of 异辛基磷酸单酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异辛基磷酸单酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 异辛基磷酸单酯. Following Lipinski's Rule of Five, 异辛基磷酸单酯 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 异辛基磷酸单酯?
The CAS number of 异辛基磷酸单酯 is 12645-53-3.
What is the molecular formula of 异辛基磷酸单酯?
The molecular formula of 异辛基磷酸单酯 is C8H19O4P.
What is the molecular weight of 异辛基磷酸单酯?
The molecular weight of 异辛基磷酸单酯 is 210.10 g/mol.
Where can I buy 异辛基磷酸单酯?
You can request a quote for 异辛基磷酸单酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异辛基磷酸单酯?
Yes, KEHONG BIO provides custom synthesis services for 异辛基磷酸单酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.