BAS 00442654
TL;DR: BAS 00442654 (CAS 330841-76-4) is a chemical compound with molecular formula C27H24Cl2N4O and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile
Also Known As: BAS 00442654, (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-[2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)phenyl]acrylonitrile, (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-{2-[(2,4-DICHLOROPHENYL)METHOXY]-4-(DIETHYLAMINO)PHENYL}PROP-2-ENENITRILE, (2E)-2-(1H-benzimidazol-2-yl)-3-{2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)phenyl}prop-2-enenitrile
| Molecular Formula | C27H24Cl2N4O |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 7.35908 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.13272 |
| Heavy Atoms | 34 |
| Complexity | 1350.1567 |
Chemical Identifiers
| CAS Number | 330841-76-4 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 00442654 (CAS 330841-76-4), with molecular formula C27H24Cl2N4O and molecular weight 490.13 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of BAS 00442654
Property Insights of BAS 00442654
The XLogP value of 7.35908 indicates that BAS 00442654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442654. Following Lipinski's Rule of Five, BAS 00442654 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 BAS 00442654?
The CAS number of BAS 00442654 is 330841-76-4.
What is the molecular formula of BAS 00442654?
The molecular formula of BAS 00442654 is C27H24Cl2N4O.
What is the molecular weight of BAS 00442654?
The molecular weight of BAS 00442654 is 490.13 g/mol.
Where can I buy BAS 00442654?
You can request a quote for BAS 00442654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442654?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.