CBKinase1_005439
TL;DR: CBKinase1_005439 (CAS 575462-77-0) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxypropyl)-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Also Known As: CBKinase1_005439, CBKinase1_017839, BRD-A75727110-001-01-0, A3597/0152420, N-(2-hydroxypropyl)-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.22044 |
| Topological Polar Surface Area | 109.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1328.9604 |
Chemical Identifiers
| CAS Number | 575462-77-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)O)C2=NN=C3N2N=C(C4=CC=CC=C43)C |
Product Overview
CBKinase1_005439 (CAS 575462-77-0), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(2-hydroxypropyl)-4-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
Chemical Property Profile of CBKinase1_005439
Property Insights of CBKinase1_005439
The XLogP value of 2.22044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005439. The TPSA of 109.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005439. Following Lipinski's Rule of Five, CBKinase1_005439 has 2 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_005439?
The CAS number of CBKinase1_005439 is 575462-77-0.
What is the molecular formula of CBKinase1_005439?
The molecular formula of CBKinase1_005439 is C20H21N5O3S.
What is the molecular weight of CBKinase1_005439?
The molecular weight of CBKinase1_005439 is 411.14 g/mol.
Where can I buy CBKinase1_005439?
You can request a quote for CBKinase1_005439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005439?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.