CBKinase1_006481
TL;DR: CBKinase1_006481 (CAS 697244-78-3) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 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-(oxolan-2-ylmethyl)benzenesulfonamide
Also Known As: CBKinase1_006481, CBKinase1_018881, BRD-A17826995-001-01-1, A3650/0154866, 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 2.71882 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1410.8868 |
Chemical Identifiers
| CAS Number | 697244-78-3 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)NCC4CCCO4)OC)C5=CC=CC=C15 |
Product Overview
CBKinase1_006481 (CAS 697244-78-3), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
Chemical Property Profile of CBKinase1_006481
Property Insights of CBKinase1_006481
The XLogP value of 2.71882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006481. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006481. Following Lipinski's Rule of Five, CBKinase1_006481 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 CBKinase1_006481?
The CAS number of CBKinase1_006481 is 697244-78-3.
What is the molecular formula of CBKinase1_006481?
The molecular formula of CBKinase1_006481 is C22H23N5O4S.
What is the molecular weight of CBKinase1_006481?
The molecular weight of CBKinase1_006481 is 453.15 g/mol.
Where can I buy CBKinase1_006481?
You can request a quote for CBKinase1_006481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006481?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.