Cambridge id 6956382
TL;DR: Cambridge id 6956382 (CAS 346596-90-5) is a chemical compound with molecular formula C19H14BrN5OS and molecular weight 439.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyridazin-3-one
Also Known As: TimTec1_002074, BRD-K01042917-001-01-6, A2677/0114080, 4-bromo-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyridazin-3-one, 4-bromo-5-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))-2-phenyl-2-hydropyridazi n-3-one
| Molecular Formula | C19H14BrN5OS |
|---|---|
| Molecular Weight | 439.01 g/mol |
| LogP | 3.9417 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.01025 |
| Heavy Atoms | 27 |
| Complexity | 1141.9862 |
Chemical Identifiers
| CAS Number | 346596-90-5 |
|---|---|
| SMILES | CN1C(=NN=C1SC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)C4=CC=CC=C4 |
Product Overview
Cambridge id 6956382 (CAS 346596-90-5), with molecular formula C19H14BrN5OS and molecular weight 439.01 g/mol. IUPAC: 4-bromo-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyridazin-3-one.
Chemical Property Profile of Cambridge id 6956382
Property Insights of Cambridge id 6956382
The XLogP value of 3.9417 indicates that Cambridge id 6956382 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 6956382. Following Lipinski's Rule of Five, Cambridge id 6956382 has 0 hydrogen bond donor(s) and 5 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 Cambridge id 6956382?
The CAS number of Cambridge id 6956382 is 346596-90-5.
What is the molecular formula of Cambridge id 6956382?
The molecular formula of Cambridge id 6956382 is C19H14BrN5OS.
What is the molecular weight of Cambridge id 6956382?
The molecular weight of Cambridge id 6956382 is 439.01 g/mol.
Where can I buy Cambridge id 6956382?
You can request a quote for Cambridge id 6956382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6956382?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6956382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.