A3687/0156423
TL;DR: A3687/0156423 (CAS 704875-73-0) is a chemical compound with molecular formula C32H28ClN5OS and molecular weight 565.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-4-chloro-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one
Also Known As: A3687/0156423, 2-(1-adamantyl)-4-chloro-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one, 2-(1-ADAMANTYL)-4-CHLORO-5-{[5-(1-NAPHTHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-3(2H)-PYRIDAZINONE, 2-(1-adamantyl)-4-chloro-5-{[5-(1-naphthyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}pyridazin-3(2H)-one, 4-chloro-5-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridazin-3(2H)-one
| Molecular Formula | C32H28ClN5OS |
|---|---|
| Molecular Weight | 565.17 g/mol |
| LogP | 7.3741 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.1703 |
| Heavy Atoms | 40 |
| Complexity | 1773.1448 |
Chemical Identifiers
| CAS Number | 704875-73-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)SC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)Cl |
Product Overview
A3687/0156423 (CAS 704875-73-0), with molecular formula C32H28ClN5OS and molecular weight 565.17 g/mol. IUPAC: 2-(1-adamantyl)-4-chloro-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one.
Chemical Property Profile of A3687/0156423
Property Insights of A3687/0156423
The XLogP value of 7.3741 indicates that A3687/0156423 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 A3687/0156423. Following Lipinski's Rule of Five, A3687/0156423 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3687/0156423?
The CAS number of A3687/0156423 is 704875-73-0.
What is the molecular formula of A3687/0156423?
The molecular formula of A3687/0156423 is C32H28ClN5OS.
What is the molecular weight of A3687/0156423?
The molecular weight of A3687/0156423 is 565.17 g/mol.
Where can I buy A3687/0156423?
You can request a quote for A3687/0156423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3687/0156423?
Yes, KEHONG BIO provides custom synthesis services for A3687/0156423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.