Dibenzyl (alpha-anilinobenzyl)-phosphonate
TL;DR: Dibenzyl (alpha-anilinobenzyl)-phosphonate (CAS 96178-31-3) is a chemical compound with molecular formula C27H26NO3P and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]aniline
Also Known As: DIBENZYL (ALPHA-ANILINOBENZYL)-PHOSPHONATE, alpha-Anilinobenzyldi(benzyloxy)phosphine oxide, J3.677.620J, Dibenzyl (phenyl(phenylamino)methyl)phosphonate, dibenzyl [phenyl(phenylamino)methyl]phosphonate
| Molecular Formula | C27H26NO3P |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.16504 |
| Heavy Atoms | 32 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 96178-31-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COP(=O)(C(C2=CC=CC=C2)NC3=CC=CC=C3)OCC4=CC=CC=C4 |
| InChIKey | CESNQFHCYWLCOU-UHFFFAOYSA-N |
Product Overview
Dibenzyl (alpha-anilinobenzyl)-phosphonate (CAS 96178-31-3), with molecular formula C27H26NO3P and molecular weight 443.17 g/mol. IUPAC: N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]aniline.
Chemical Property Profile of Dibenzyl (alpha-anilinobenzyl)-phosphonate
Property Insights of Dibenzyl (alpha-anilinobenzyl)-phosphonate
The XLogP value of 5.8 indicates that Dibenzyl (alpha-anilinobenzyl)-phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Dibenzyl (alpha-anilinobenzyl)-phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzyl (alpha-anilinobenzyl)-phosphonate has 1 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 Dibenzyl (alpha-anilinobenzyl)-phosphonate?
The CAS number of Dibenzyl (alpha-anilinobenzyl)-phosphonate is 96178-31-3.
What is the molecular formula of Dibenzyl (alpha-anilinobenzyl)-phosphonate?
The molecular formula of Dibenzyl (alpha-anilinobenzyl)-phosphonate is C27H26NO3P.
What is the molecular weight of Dibenzyl (alpha-anilinobenzyl)-phosphonate?
The molecular weight of Dibenzyl (alpha-anilinobenzyl)-phosphonate is 443.17 g/mol.
Where can I buy Dibenzyl (alpha-anilinobenzyl)-phosphonate?
You can request a quote for Dibenzyl (alpha-anilinobenzyl)-phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl (alpha-anilinobenzyl)-phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl (alpha-anilinobenzyl)-phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.