BIM-0049537.P001
TL;DR: BIM-0049537.P001 (CAS 5952-79-4) is a chemical compound with molecular formula C20H21BrN4O3 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-[5-bromo-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: BIM-0049537.P001, (Z)-1-[5-Bromo-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine, (Z)-1-(5-Bromo-2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine, 1-[5-bromo-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C20H21BrN4O3 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 3.70562 |
| Topological Polar Surface Area | 70.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.0797 |
| Heavy Atoms | 28 |
| Complexity | 882.97626 |
Chemical Identifiers
| CAS Number | 5952-79-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCOCCOC2=C(C=C(C=C2)Br)/C=N\N3C=NN=C3 |
Product Overview
BIM-0049537.P001 (CAS 5952-79-4), with molecular formula C20H21BrN4O3 and molecular weight 444.08 g/mol. IUPAC: (Z)-1-[5-bromo-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of BIM-0049537.P001
Property Insights of BIM-0049537.P001
The XLogP value of 3.70562 indicates that BIM-0049537.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049537.P001. Following Lipinski's Rule of Five, BIM-0049537.P001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0049537.P001?
The CAS number of BIM-0049537.P001 is 5952-79-4.
What is the molecular formula of BIM-0049537.P001?
The molecular formula of BIM-0049537.P001 is C20H21BrN4O3.
What is the molecular weight of BIM-0049537.P001?
The molecular weight of BIM-0049537.P001 is 444.08 g/mol.
Where can I buy BIM-0049537.P001?
You can request a quote for BIM-0049537.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049537.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049537.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.