2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-
TL;DR: 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- (CAS 27311-57-5) is a chemical compound with molecular formula C22H16BrNO2 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-1,4-diphenylbut-2-ene-1,4-dione
Also Known As: 2-(4-Bromoanilino)-1,4-diphenylbut-2-ene-1,4-dione, 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-, RefChem:257891
| Molecular Formula | C22H16BrNO2 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.03644 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 27311-57-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=C(C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Br |
| InChIKey | RJBYGYHVNJIOIV-UHFFFAOYSA-N |
Product Overview
2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- (CAS 27311-57-5), with molecular formula C22H16BrNO2 and molecular weight 405.04 g/mol. IUPAC: 2-(4-bromoanilino)-1,4-diphenylbut-2-ene-1,4-dione.
Chemical Property Profile of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-
Property Insights of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-
The XLogP value of 6.2 indicates that 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-?
The CAS number of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- is 27311-57-5.
What is the molecular formula of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-?
The molecular formula of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- is C22H16BrNO2.
What is the molecular weight of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-?
The molecular weight of 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- is 405.04 g/mol.
Where can I buy 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-?
You can request a quote for 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene-1,4-dione, 2-(p-bromoanilino)-1,4-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.