2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide
TL;DR: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide (CAS 488089-74-3) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide
Also Known As: ChemDiv3_004767, IDI1_022677, BRD-K80239775-001-01-3, 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide, 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.14131 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1350.2346 |
Chemical Identifiers
| CAS Number | 488089-74-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)NCC4=CN=CC=C4 |
Product Overview
2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide (CAS 488089-74-3), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide.
Chemical Property Profile of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide
Property Insights of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide
The XLogP value of 4.14131 indicates that 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide has 2 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 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide?
The CAS number of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide is 488089-74-3.
What is the molecular formula of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide?
The molecular formula of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide is C21H18N4O2S2.
What is the molecular weight of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide?
The molecular weight of 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide is 422.09 g/mol.
Where can I buy 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide?
You can request a quote for 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylphthalazin-1-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.