CBKinase1_005314
TL;DR: CBKinase1_005314 (CAS 700855-61-4) is a chemical compound with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
Also Known As: CBKinase1_005314, CBKinase1_017714, BAS 06833130, BRD-K42964934-001-01-1, N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
| Molecular Formula | C20H24N2O5S |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 2.0547 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1406 |
| Heavy Atoms | 28 |
| Complexity | 974.3114 |
Chemical Identifiers
| CAS Number | 700855-61-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C |
Product Overview
CBKinase1_005314 (CAS 700855-61-4), with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol. IUPAC: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide.
Chemical Property Profile of CBKinase1_005314
Property Insights of CBKinase1_005314
The XLogP value of 2.0547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005314. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005314. Following Lipinski's Rule of Five, CBKinase1_005314 has 0 hydrogen bond donor(s) and 5 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_005314?
The CAS number of CBKinase1_005314 is 700855-61-4.
What is the molecular formula of CBKinase1_005314?
The molecular formula of CBKinase1_005314 is C20H24N2O5S.
What is the molecular weight of CBKinase1_005314?
The molecular weight of CBKinase1_005314 is 404.14 g/mol.
Where can I buy CBKinase1_005314?
You can request a quote for CBKinase1_005314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005314?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.