3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
TL;DR: 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile (CAS 21434-03-7) is a chemical compound with molecular formula C28H21F2N2OP and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
Also Known As: (Z)-3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2, 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
| Molecular Formula | C28H21F2N2OP |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.13596 |
| Heavy Atoms | 34 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 21434-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC(=C(C#N)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F |
| InChIKey | WPFKLANJAXZSDR-UHFFFAOYSA-N |
Product Overview
3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile (CAS 21434-03-7), with molecular formula C28H21F2N2OP and molecular weight 470.14 g/mol. IUPAC: 3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile.
Chemical Property Profile of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
Property Insights of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
The XLogP value of 6.4 indicates that 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile?
The CAS number of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile is 21434-03-7.
What is the molecular formula of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile?
The molecular formula of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile is C28H21F2N2OP.
What is the molecular weight of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile?
The molecular weight of 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile is 470.14 g/mol.
Where can I buy 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile?
You can request a quote for 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.