Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester
TL;DR: Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester (CAS 28108-99-8) is a chemical compound with molecular formula C21H21O4P and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl (3-propan-2-ylphenyl) phosphate
Also Known As: 3-isopropylphenyl diphenyl phosphate, diphenyl (3-propan-2-ylphenyl) phosphate, Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester, Diphenyl 3-Isopropylphenyl Phosphate, (3-isopropylphenyl) diphenyl phosphate
| Molecular Formula | C21H21O4P |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.11774 |
| Heavy Atoms | 26 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 28108-99-8 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | PLBFTNYDDQQDME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester (CAS 28108-99-8), with molecular formula C21H21O4P and molecular weight 368.12 g/mol. IUPAC: diphenyl (3-propan-2-ylphenyl) phosphate.
Chemical Property Profile of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester
Property Insights of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester
The XLogP value of 6.1 indicates that Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester?
The CAS number of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester is 28108-99-8.
What is the molecular formula of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester?
The molecular formula of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester is C21H21O4P.
What is the molecular weight of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester?
The molecular weight of Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester is 368.12 g/mol.
Where can I buy Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester?
You can request a quote for Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl 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-(1-methylethyl)phenyl diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3-(1-methylethyl)phenyl diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.