Phosphoric acid, 3,5-xylyl ester
TL;DR: Phosphoric acid, 3,5-xylyl ester (CAS 39289-88-8) is a chemical compound with molecular formula C8H11O4P and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) dihydrogen phosphate
Also Known As: OMTI [Russian], OMTI, 3,5-Xylenyl phosphate, 3,5-Dimethylphenyl phosphate, Phosphoric acid, 3,5-xylyl ester
| Molecular Formula | C8H11O4P |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | 1.77494 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.03949 |
| Heavy Atoms | 13 |
| Complexity | 334.9117 |
Chemical Identifiers
| CAS Number | 39289-88-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OP(=O)(O)O)C |
Product Overview
Phosphoric acid, 3,5-xylyl ester (CAS 39289-88-8), with molecular formula C8H11O4P and molecular weight 202.04 g/mol. IUPAC: (3,5-dimethylphenyl) dihydrogen phosphate.
Chemical Property Profile of Phosphoric acid, 3,5-xylyl ester
Property Insights of Phosphoric acid, 3,5-xylyl ester
The XLogP value of 1.77494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 3,5-xylyl ester. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 3,5-xylyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 3,5-xylyl ester has 2 hydrogen bond donor(s) and 2 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, 3,5-xylyl ester?
The CAS number of Phosphoric acid, 3,5-xylyl ester is 39289-88-8.
What is the molecular formula of Phosphoric acid, 3,5-xylyl ester?
The molecular formula of Phosphoric acid, 3,5-xylyl ester is C8H11O4P.
What is the molecular weight of Phosphoric acid, 3,5-xylyl ester?
The molecular weight of Phosphoric acid, 3,5-xylyl ester is 202.04 g/mol.
Where can I buy Phosphoric acid, 3,5-xylyl ester?
You can request a quote for Phosphoric acid, 3,5-xylyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.