1-(Diphenylphosphoryloxymethyl)-4-methylbenzene
TL;DR: 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene (CAS 87671-55-4) is a chemical compound with molecular formula C20H19O2P and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diphenylphosphoryloxymethyl)-4-methylbenzene
Also Known As: 1-(diphenylphosphoryloxymethyl)-4-methylbenzene, Diphenylphosphinic acid 4-methylbenzyl ester, (4-METHYLPHENYL)METHYL DIPHENYLPHOSPHINATE, J3.452.576E, RefChem:226600
| Molecular Formula | C20H19O2P |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.11227 |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 87671-55-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HGSRGEZHTHKKMV-UHFFFAOYSA-N |
Product Overview
1-(Diphenylphosphoryloxymethyl)-4-methylbenzene (CAS 87671-55-4), with molecular formula C20H19O2P and molecular weight 322.11 g/mol. IUPAC: 1-(diphenylphosphoryloxymethyl)-4-methylbenzene.
Chemical Property Profile of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene
Property Insights of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene
The XLogP value of 4.4 indicates that 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene has 0 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 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene?
The CAS number of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene is 87671-55-4.
What is the molecular formula of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene?
The molecular formula of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene is C20H19O2P.
What is the molecular weight of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene?
The molecular weight of 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene is 322.11 g/mol.
Where can I buy 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene?
You can request a quote for 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diphenylphosphoryloxymethyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.