BAS 00653053
TL;DR: BAS 00653053 (CAS 331867-88-0) is a chemical compound with molecular formula C27H25ClN4O and molecular weight 456.17 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-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile
Also Known As: BAS 00653053, A1552/0067585, (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile, (2E)-2-(1H-benzimidazol-2-yl)-3-{2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl}prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-[2-[(4-chlorobenzyl)oxy]-4-(diethylamino)phenyl]acrylonitrile
| Molecular Formula | C27H25ClN4O |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 6.70568 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.1717 |
| Heavy Atoms | 33 |
| Complexity | 1281.2115 |
Chemical Identifiers
| CAS Number | 331867-88-0 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)Cl |
Product Overview
BAS 00653053 (CAS 331867-88-0), with molecular formula C27H25ClN4O and molecular weight 456.17 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]-4-(diethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of BAS 00653053
Property Insights of BAS 00653053
The XLogP value of 6.70568 indicates that BAS 00653053 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 00653053. Following Lipinski's Rule of Five, BAS 00653053 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 00653053?
The CAS number of BAS 00653053 is 331867-88-0.
What is the molecular formula of BAS 00653053?
The molecular formula of BAS 00653053 is C27H25ClN4O.
What is the molecular weight of BAS 00653053?
The molecular weight of BAS 00653053 is 456.17 g/mol.
Where can I buy BAS 00653053?
You can request a quote for BAS 00653053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00653053?
Yes, KEHONG BIO provides custom synthesis services for BAS 00653053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.