BAS 00770542
TL;DR: BAS 00770542 (CAS 328266-27-9) is a chemical compound with molecular formula C25H19Br2N3O and molecular weight 534.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: BAS 00770542, AB01322433-02, 3-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, (2E)-3-{3,5-DIBROMO-4-[(4-METHYLPHENYL)METHOXY]PHENYL}-2-(5-METHYL-1H-1,3-BENZODIAZOL-2-YL)PROP-2-ENENITRILE, (E)-3-[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C25H19Br2N3O |
|---|---|
| Molecular Weight | 534.99 g/mol |
| LogP | 7.34792 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.9895 |
| Heavy Atoms | 31 |
| Complexity | 1308.3838 |
Chemical Identifiers
| CAS Number | 328266-27-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)/C=C(\C#N)/C3=NC4=C(N3)C=C(C=C4)C)Br |
Product Overview
BAS 00770542 (CAS 328266-27-9), with molecular formula C25H19Br2N3O and molecular weight 534.99 g/mol. IUPAC: (E)-3-[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 00770542
Property Insights of BAS 00770542
The XLogP value of 7.34792 indicates that BAS 00770542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00770542. Following Lipinski's Rule of Five, BAS 00770542 has 1 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 00770542?
The CAS number of BAS 00770542 is 328266-27-9.
What is the molecular formula of BAS 00770542?
The molecular formula of BAS 00770542 is C25H19Br2N3O.
What is the molecular weight of BAS 00770542?
The molecular weight of BAS 00770542 is 534.99 g/mol.
Where can I buy BAS 00770542?
You can request a quote for BAS 00770542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00770542?
Yes, KEHONG BIO provides custom synthesis services for BAS 00770542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.