CBKinase1_005456
TL;DR: CBKinase1_005456 (CAS 577997-54-7) 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-[2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylmorpholine
Also Known As: CBKinase1_005456, CBKinase1_017856, BAS 07457055, BRD-K84255235-001-01-9, A3598/0152429
| 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 | 577997-54-7 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCOCC5 |
Product Overview
CBKinase1_005456 (CAS 577997-54-7), with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol. IUPAC: 4-[2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylmorpholine.
Chemical Property Profile of CBKinase1_005456
Property Insights of CBKinase1_005456
The XLogP value of 2.28242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005456. The TPSA of 98.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005456. Following Lipinski's Rule of Five, CBKinase1_005456 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 CBKinase1_005456?
The CAS number of CBKinase1_005456 is 577997-54-7.
What is the molecular formula of CBKinase1_005456?
The molecular formula of CBKinase1_005456 is C21H21N5O4S.
What is the molecular weight of CBKinase1_005456?
The molecular weight of CBKinase1_005456 is 439.13 g/mol.
Where can I buy CBKinase1_005456?
You can request a quote for CBKinase1_005456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005456?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.