ChemDiv2_005246
TL;DR: ChemDiv2_005246 (CAS 708239-40-1) is a chemical compound with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylmorpholine
Also Known As: ChemDiv2_005246, IDI1_003961, 4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylmorpholine, AO-022/43452841, 3-[2-methoxy-5-(morpholin-4-ylsulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C21H21N5O4S |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 2.28242 |
| Topological Polar Surface Area | 98.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.13144 |
| Heavy Atoms | 31 |
| Complexity | 1393.9373 |
Chemical Identifiers
| CAS Number | 708239-40-1 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)C5=CC=CC=C15 |
Product Overview
ChemDiv2_005246 (CAS 708239-40-1), with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol. IUPAC: 4-[4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylmorpholine.
Chemical Property Profile of ChemDiv2_005246
Property Insights of ChemDiv2_005246
The XLogP value of 2.28242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005246. The TPSA of 98.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005246. Following Lipinski's Rule of Five, ChemDiv2_005246 has 0 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_005246?
The CAS number of ChemDiv2_005246 is 708239-40-1.
What is the molecular formula of ChemDiv2_005246?
The molecular formula of ChemDiv2_005246 is C21H21N5O4S.
What is the molecular weight of ChemDiv2_005246?
The molecular weight of ChemDiv2_005246 is 439.13 g/mol.
Where can I buy ChemDiv2_005246?
You can request a quote for ChemDiv2_005246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005246?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.