ChemDiv3_006691
TL;DR: ChemDiv3_006691 (CAS 586998-06-3) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hydroxybutan-2-yl)-2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: ChemDiv3_006691, IDI1_024601, BAS 07457057, AB01311335-01, BRD-A04255870-001-01-8
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 2.31072 |
| Topological Polar Surface Area | 118.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1363.221 |
Chemical Identifiers
| CAS Number | 586998-06-3 |
|---|---|
| SMILES | CCC(CO)NS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)OC |
Product Overview
ChemDiv3_006691 (CAS 586998-06-3), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: N-(1-hydroxybutan-2-yl)-2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv3_006691
Property Insights of ChemDiv3_006691
The XLogP value of 2.31072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006691. The TPSA of 118.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006691. Following Lipinski's Rule of Five, ChemDiv3_006691 has 2 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 ChemDiv3_006691?
The CAS number of ChemDiv3_006691 is 586998-06-3.
What is the molecular formula of ChemDiv3_006691?
The molecular formula of ChemDiv3_006691 is C21H23N5O4S.
What is the molecular weight of ChemDiv3_006691?
The molecular weight of ChemDiv3_006691 is 441.15 g/mol.
Where can I buy ChemDiv3_006691?
You can request a quote for ChemDiv3_006691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006691?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.