BAS 00989860
TL;DR: BAS 00989860 (CAS 333769-86-1) is a chemical compound with molecular formula C29H19Br2ClN2O2 and molecular weight 619.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-bromobenzoate
Also Known As: BAS 00989860, [(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-bromobenzoate, (E)-1-(2-bromophenyl)-2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethenyl 2-bromobenzoate, (E)-1-(2-bromophenyl)-2-(1-(4-chlorobenzyl)-1H-benzo[d]imidazol-2-yl)vinyl 2-bromobenzoate
| Molecular Formula | C29H19Br2ClN2O2 |
|---|---|
| Molecular Weight | 619.95 g/mol |
| LogP | 8.6181 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 619.9502 |
| Heavy Atoms | 36 |
| Complexity | 1593.0316 |
Chemical Identifiers
| CAS Number | 333769-86-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C(=C\C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)/OC(=O)C5=CC=CC=C5Br)Br |
Product Overview
BAS 00989860 (CAS 333769-86-1), with molecular formula C29H19Br2ClN2O2 and molecular weight 619.95 g/mol. IUPAC: [(E)-1-(2-bromophenyl)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-bromobenzoate.
Chemical Property Profile of BAS 00989860
Property Insights of BAS 00989860
The XLogP value of 8.6181 indicates that BAS 00989860 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 00989860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00989860 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 00989860?
The CAS number of BAS 00989860 is 333769-86-1.
What is the molecular formula of BAS 00989860?
The molecular formula of BAS 00989860 is C29H19Br2ClN2O2.
What is the molecular weight of BAS 00989860?
The molecular weight of BAS 00989860 is 619.95 g/mol.
Where can I buy BAS 00989860?
You can request a quote for BAS 00989860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00989860?
Yes, KEHONG BIO provides custom synthesis services for BAS 00989860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.