Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
TL;DR: Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester (CAS 83242-23-3) is a chemical compound with molecular formula C22H23O4P and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylphenyl) diphenyl phosphate
Also Known As: tert-Butylphenyl diphenyl phosphate, 2-tert-Butylphenyl diphenyl phosphate, BPDP, cis-1,2-Dimethylcyclopentane, (2-tert-butylphenyl) diphenyl phosphate
| Molecular Formula | C22H23O4P |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1334 |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
| Melting Point | -21 °C /pour point/ |
| Boiling Point | 473 to 260.0 °C at 5 mmHg |
| Density | 1.16 at 25.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 223.9 °C |
| Vapor Pressure | 0.0000014 [mmHg] |
| Refractive Index | = 1.5179 at 25 °C |
Chemical Identifiers
| CAS Number | 83242-23-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | VDIFKDMFGPIVCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester (CAS 83242-23-3), with molecular formula C22H23O4P and molecular weight 382.13 g/mol. IUPAC: (2-tert-butylphenyl) diphenyl phosphate.
Chemical Property Profile of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
Property Insights of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
The XLogP value of 6.6 indicates that Phosphoric acid, (1,1-dimethylethyl)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, (1,1-dimethylethyl)phenyl diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, (1,1-dimethylethyl)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, (1,1-dimethylethyl)phenyl diphenyl ester?
The CAS number of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester is 83242-23-3.
What is the molecular formula of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester?
The molecular formula of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester is C22H23O4P.
What is the molecular weight of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester?
The molecular weight of Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester is 382.13 g/mol.
Where can I buy Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester?
You can request a quote for Phosphoric acid, (1,1-dimethylethyl)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, (1,1-dimethylethyl)phenyl diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.