BAS 00442696
TL;DR: BAS 00442696 (CAS 5524-68-5) is a chemical compound with molecular formula C25H16Cl2N4 and molecular weight 442.08 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-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
Also Known As: BAS 00442696, 2-(1H-benzimidazol-2-yl)-3-[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile, (2E)-2-benzimidazol-2-yl-3-{1-[(2,4-dichlorophenyl)methyl]indol-3-yl}prop-2-en enitrile, (2E)-2-(1H-1,3-Benzimidazol-2-yl)-3-{1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}prop-2-enenitrile
| Molecular Formula | C25H16Cl2N4 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 6.93688 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.0752 |
| Heavy Atoms | 31 |
| Complexity | 1468.326 |
Chemical Identifiers
| CAS Number | 5524-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Cl)Cl)/C=C(\C#N)/C4=NC5=CC=CC=C5N4 |
Product Overview
BAS 00442696 (CAS 5524-68-5), with molecular formula C25H16Cl2N4 and molecular weight 442.08 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00442696
Property Insights of BAS 00442696
The XLogP value of 6.93688 indicates that BAS 00442696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, BAS 00442696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00442696 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00442696?
The CAS number of BAS 00442696 is 5524-68-5.
What is the molecular formula of BAS 00442696?
The molecular formula of BAS 00442696 is C25H16Cl2N4.
What is the molecular weight of BAS 00442696?
The molecular weight of BAS 00442696 is 442.08 g/mol.
Where can I buy BAS 00442696?
You can request a quote for BAS 00442696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442696?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.