BAS 01044589
TL;DR: BAS 01044589 (CAS 296896-06-5) is a chemical compound with molecular formula C29H18Cl2F2N2O2 and molecular weight 534.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate
Also Known As: BAS 01044589, (E)-2-(1-(3,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)-1-(2-fluorophenyl)vinyl 2-fluorobenzoate, (E)-2-[1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-yl]-1-(2-fluorophenyl)ethenyl 2-fluorobenzoate, [(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate
| Molecular Formula | C29H18Cl2F2N2O2 |
|---|---|
| Molecular Weight | 534.07 g/mol |
| LogP | 8.0247 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.07135 |
| Heavy Atoms | 37 |
| Complexity | 1663.3818 |
Chemical Identifiers
| CAS Number | 296896-06-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C(=C\C2=NC3=CC=CC=C3N2CC4=CC(=C(C=C4)Cl)Cl)/OC(=O)C5=CC=CC=C5F)F |
Product Overview
BAS 01044589 (CAS 296896-06-5), with molecular formula C29H18Cl2F2N2O2 and molecular weight 534.07 g/mol. IUPAC: [(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate.
Chemical Property Profile of BAS 01044589
Property Insights of BAS 01044589
The XLogP value of 8.0247 indicates that BAS 01044589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 01044589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01044589 has 0 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 BAS 01044589?
The CAS number of BAS 01044589 is 296896-06-5.
What is the molecular formula of BAS 01044589?
The molecular formula of BAS 01044589 is C29H18Cl2F2N2O2.
What is the molecular weight of BAS 01044589?
The molecular weight of BAS 01044589 is 534.07 g/mol.
Where can I buy BAS 01044589?
You can request a quote for BAS 01044589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01044589?
Yes, KEHONG BIO provides custom synthesis services for BAS 01044589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.