2-乙基己基磷酸酯(混合异构体)
TL;DR: 2-乙基己基磷酸酯(混合异构体) (CAS 12645-31-7) is a chemical compound with molecular formula C8H21O5P and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己基磷酸酯(混合异构体)
2-ethylhexan-1-ol;phosphoric acid
Also Known As: 2-Ethylhexanol phosphate, 2-Ethylhexyl phosphate, Phosphated 2-ethyl hexanol, HOSTAPHAT MDAH, 2-Ethylhexanol, phosphate
| Molecular Formula | C8H21O5P |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11266 |
| Heavy Atoms | 14 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 12645-31-7 |
|---|---|
| SMILES | CCCCC(CC)CO.OP(=O)(O)O |
| InChIKey | FZQYZMODYSBPES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己基磷酸酯(混合异构体) (CAS 12645-31-7), with molecular formula C8H21O5P and molecular weight 228.11 g/mol. IUPAC: 2-ethylhexan-1-ol;phosphoric acid.
Chemical Property Profile of 2-乙基己基磷酸酯(混合异构体)
Property Insights of 2-乙基己基磷酸酯(混合异构体)
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基己基磷酸酯(混合异构体). The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙基己基磷酸酯(混合异构体). Following Lipinski's Rule of Five, 2-乙基己基磷酸酯(混合异构体) has 4 hydrogen bond donor(s) and 5 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 2-乙基己基磷酸酯(混合异构体)?
The CAS number of 2-乙基己基磷酸酯(混合异构体) is 12645-31-7.
What is the molecular formula of 2-乙基己基磷酸酯(混合异构体)?
The molecular formula of 2-乙基己基磷酸酯(混合异构体) is C8H21O5P.
What is the molecular weight of 2-乙基己基磷酸酯(混合异构体)?
The molecular weight of 2-乙基己基磷酸酯(混合异构体) is 228.11 g/mol.
Where can I buy 2-乙基己基磷酸酯(混合异构体)?
You can request a quote for 2-乙基己基磷酸酯(混合异构体) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己基磷酸酯(混合异构体)?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己基磷酸酯(混合异构体) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.