A3795/0161133
TL;DR: A3795/0161133 (CAS 1005272-15-0) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bicyclo[2.2.1]heptanyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: A3795/0161133, 2-[[4-(3-bicyclo[2.2.1]heptanyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-(4-Bicyclo[2.2.1]hept-2-yl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2H-phthalazin-1-one, 2-{[4-(bicyclo[2.2.1]hept-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one, 2-[[4-(2-norbornyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.05999 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 1065.0039 |
Chemical Identifiers
| CAS Number | 1005272-15-0 |
|---|---|
| SMILES | C1CC2CC1CC2N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4 |
Product Overview
A3795/0161133 (CAS 1005272-15-0), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: 2-[[4-(2-bicyclo[2.2.1]heptanyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of A3795/0161133
Property Insights of A3795/0161133
The XLogP value of 3.05999 indicates that A3795/0161133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3795/0161133. Following Lipinski's Rule of Five, A3795/0161133 has 1 hydrogen bond donor(s) and 4 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 A3795/0161133?
The CAS number of A3795/0161133 is 1005272-15-0.
What is the molecular formula of A3795/0161133?
The molecular formula of A3795/0161133 is C18H19N5OS.
What is the molecular weight of A3795/0161133?
The molecular weight of A3795/0161133 is 353.13 g/mol.
Where can I buy A3795/0161133?
You can request a quote for A3795/0161133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3795/0161133?
Yes, KEHONG BIO provides custom synthesis services for A3795/0161133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.