Phosphoric acid, monoisooctyl ester, sodium salt (1:2)
TL;DR: Phosphoric acid, monoisooctyl ester, sodium salt (1:2) (CAS 68110-42-9) is a chemical compound with molecular formula C8H17Na2O4P and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;6-methylheptyl phosphate
Also Known As: Disodium isooctyl phosphate, disodium 6-methylheptyl phosphate, sodium 6-methylheptyl phosphate, Phosphoric acid, monoisooctyl ester, disodium salt, Phosphoric acid, isooctyl ester, disodium salt
| Molecular Formula | C8H17Na2O4P |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | -4.94 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.06598 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 68110-42-9 |
|---|---|
| SMILES | CC(C)CCCCCOP(=O)([O-])[O-].[Na+].[Na+] |
| InChIKey | HDXQVGBITVNZCH-UHFFFAOYSA-L |
Product Overview
Phosphoric acid, monoisooctyl ester, sodium salt (1:2) (CAS 68110-42-9), with molecular formula C8H17Na2O4P and molecular weight 254.07 g/mol. IUPAC: disodium;6-methylheptyl phosphate.
Chemical Property Profile of Phosphoric acid, monoisooctyl ester, sodium salt (1:2)
Property Insights of Phosphoric acid, monoisooctyl ester, sodium salt (1:2)
The XLogP value of -4.94 indicates that Phosphoric acid, monoisooctyl ester, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, monoisooctyl ester, sodium salt (1:2). Following Lipinski's Rule of Five, Phosphoric acid, monoisooctyl ester, sodium salt (1:2) has 0 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 Phosphoric acid, monoisooctyl ester, sodium salt (1:2)?
The CAS number of Phosphoric acid, monoisooctyl ester, sodium salt (1:2) is 68110-42-9.
What is the molecular formula of Phosphoric acid, monoisooctyl ester, sodium salt (1:2)?
The molecular formula of Phosphoric acid, monoisooctyl ester, sodium salt (1:2) is C8H17Na2O4P.
What is the molecular weight of Phosphoric acid, monoisooctyl ester, sodium salt (1:2)?
The molecular weight of Phosphoric acid, monoisooctyl ester, sodium salt (1:2) is 254.07 g/mol.
Where can I buy Phosphoric acid, monoisooctyl ester, sodium salt (1:2)?
You can request a quote for Phosphoric acid, monoisooctyl ester, sodium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, monoisooctyl ester, sodium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, monoisooctyl ester, sodium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.