(E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide
TL;DR: (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide (CAS 799787-10-3) is a chemical compound with molecular formula C20H17N5O3S2 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[4-[(E)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
Also Known As: (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide, N-{2-[(4-{[(E)-furan-2-ylmethylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl}methanesulfonamide
| Molecular Formula | C20H17N5O3S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.3438 |
| Topological Polar Surface Area | 102.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.07727 |
| Heavy Atoms | 30 |
| Complexity | 1340.7992 |
Chemical Identifiers
| CAS Number | 799787-10-3 |
|---|---|
| SMILES | CS(=O)(=O)NC1C(C2=CC=CC3=C2C1=CC=C3)SC4=NN=CN4/N=C/C5=CC=CO5 |
Product Overview
(E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide (CAS 799787-10-3), with molecular formula C20H17N5O3S2 and molecular weight 439.08 g/mol. IUPAC: N-[2-[[4-[(E)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.
Chemical Property Profile of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide
Property Insights of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide
The XLogP value of 3.3438 indicates that (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide. Following Lipinski's Rule of Five, (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide 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 (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide?
The CAS number of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide is 799787-10-3.
What is the molecular formula of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide?
The molecular formula of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide is C20H17N5O3S2.
What is the molecular weight of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide?
The molecular weight of (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide is 439.08 g/mol.
Where can I buy (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide?
You can request a quote for (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-((4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.