A3802/0161345
TL;DR: A3802/0161345 (CAS 727686-22-8) is a chemical compound with molecular formula C26H20N6O3S and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
Also Known As: A3802/0161345, 5-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide, 5-(3-(furan-2-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide, 5-[3-(2-FURYL)[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-6-YL]-2-METHYL-N-(3-PYRIDINYLMETHYL)BENZENESULFONAMIDE, 5-[3-(furan-2-yl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
| Molecular Formula | C26H20N6O3S |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 4.38642 |
| Topological Polar Surface Area | 115.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.13177 |
| Heavy Atoms | 36 |
| Complexity | 1813.8213 |
Chemical Identifiers
| CAS Number | 727686-22-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CO4)C5=CC=CC=C52)S(=O)(=O)NCC6=CN=CC=C6 |
Product Overview
A3802/0161345 (CAS 727686-22-8), with molecular formula C26H20N6O3S and molecular weight 496.13 g/mol. IUPAC: 5-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
Chemical Property Profile of A3802/0161345
Property Insights of A3802/0161345
The XLogP value of 4.38642 indicates that A3802/0161345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.28 Ų falls within the moderate polarity range, balancing permeability and solubility for A3802/0161345. Following Lipinski's Rule of Five, A3802/0161345 has 1 hydrogen bond donor(s) and 7 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 A3802/0161345?
The CAS number of A3802/0161345 is 727686-22-8.
What is the molecular formula of A3802/0161345?
The molecular formula of A3802/0161345 is C26H20N6O3S.
What is the molecular weight of A3802/0161345?
The molecular weight of A3802/0161345 is 496.13 g/mol.
Where can I buy A3802/0161345?
You can request a quote for A3802/0161345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3802/0161345?
Yes, KEHONG BIO provides custom synthesis services for A3802/0161345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.