ChemDiv2_004940
TL;DR: ChemDiv2_004940 (CAS 849006-76-4) is a chemical compound with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
Also Known As: ChemDiv2_004940, IDI1_003655, 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide, 4-methoxy-3-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide, 4-METHOXY-3-{6-METHYL-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL}-N-[(PYRIDIN-3-YL)METHYL]BENZENE-1-SULFONAMIDE
| Molecular Formula | C23H20N6O3S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 3.13502 |
| Topological Polar Surface Area | 111.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.13177 |
| Heavy Atoms | 33 |
| Complexity | 1582.7571 |
Chemical Identifiers
| CAS Number | 849006-76-4 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)NCC4=CN=CC=C4)OC)C5=CC=CC=C15 |
Product Overview
ChemDiv2_004940 (CAS 849006-76-4), with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol. IUPAC: 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
Chemical Property Profile of ChemDiv2_004940
Property Insights of ChemDiv2_004940
The XLogP value of 3.13502 indicates that ChemDiv2_004940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004940. Following Lipinski's Rule of Five, ChemDiv2_004940 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 ChemDiv2_004940?
The CAS number of ChemDiv2_004940 is 849006-76-4.
What is the molecular formula of ChemDiv2_004940?
The molecular formula of ChemDiv2_004940 is C23H20N6O3S.
What is the molecular weight of ChemDiv2_004940?
The molecular weight of ChemDiv2_004940 is 460.13 g/mol.
Where can I buy ChemDiv2_004940?
You can request a quote for ChemDiv2_004940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004940?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.