A3597/0152417
TL;DR: A3597/0152417 (CAS 696607-22-4) is a chemical compound with molecular formula C24H18BrN5O and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide
Also Known As: A3597/0152417, 3-bromo-N-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide, 3-bromo-N-(2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl)benzamide, 3-bromo-N-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide, 3-BROMO-N-(2-METHYL-5-{6-METHYL-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL}PHENYL)BENZAMIDE
| Molecular Formula | C24H18BrN5O |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 5.57614 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.06946 |
| Heavy Atoms | 31 |
| Complexity | 1474.1443 |
Chemical Identifiers
| CAS Number | 696607-22-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)NC(=O)C5=CC(=CC=C5)Br |
Product Overview
A3597/0152417 (CAS 696607-22-4), with molecular formula C24H18BrN5O and molecular weight 471.07 g/mol. IUPAC: 3-bromo-N-[2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]benzamide.
Chemical Property Profile of A3597/0152417
Property Insights of A3597/0152417
The XLogP value of 5.57614 indicates that A3597/0152417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A3597/0152417. Following Lipinski's Rule of Five, A3597/0152417 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 A3597/0152417?
The CAS number of A3597/0152417 is 696607-22-4.
What is the molecular formula of A3597/0152417?
The molecular formula of A3597/0152417 is C24H18BrN5O.
What is the molecular weight of A3597/0152417?
The molecular weight of A3597/0152417 is 471.07 g/mol.
Where can I buy A3597/0152417?
You can request a quote for A3597/0152417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3597/0152417?
Yes, KEHONG BIO provides custom synthesis services for A3597/0152417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.