CBKinase1_005454
TL;DR: CBKinase1_005454 (CAS 701221-01-4) is a chemical compound with molecular formula C22H23N5O3S and molecular weight 437.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
Also Known As: CBKinase1_005454, CBKinase1_017854, BAS 07457035, BRD-A81990771-001-01-6, 2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
| Molecular Formula | C22H23N5O3S |
|---|---|
| Molecular Weight | 437.15 g/mol |
| LogP | 3.01864 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.15216 |
| Heavy Atoms | 31 |
| Complexity | 1391.3135 |
Chemical Identifiers
| CAS Number | 701221-01-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)NCC5CCCO5 |
Product Overview
CBKinase1_005454 (CAS 701221-01-4), with molecular formula C22H23N5O3S and molecular weight 437.15 g/mol. IUPAC: 2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
Chemical Property Profile of CBKinase1_005454
Property Insights of CBKinase1_005454
The XLogP value of 3.01864 indicates that CBKinase1_005454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005454. Following Lipinski's Rule of Five, CBKinase1_005454 has 1 hydrogen bond donor(s) and 6 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_005454?
The CAS number of CBKinase1_005454 is 701221-01-4.
What is the molecular formula of CBKinase1_005454?
The molecular formula of CBKinase1_005454 is C22H23N5O3S.
What is the molecular weight of CBKinase1_005454?
The molecular weight of CBKinase1_005454 is 437.15 g/mol.
Where can I buy CBKinase1_005454?
You can request a quote for CBKinase1_005454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005454?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.