CBKinase1_006957
TL;DR: CBKinase1_006957 (CAS 947403-17-0) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
Also Known As: CBKinase1_006957, CBKinase1_019357, BAS 08979893, BRD-A16004478-001-01-2, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.08462 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 1064.879 |
Chemical Identifiers
| CAS Number | 947403-17-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
CBKinase1_006957 (CAS 947403-17-0), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
Chemical Property Profile of CBKinase1_006957
Property Insights of CBKinase1_006957
The XLogP value of 2.08462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006957. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006957. Following Lipinski's Rule of Five, CBKinase1_006957 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_006957?
The CAS number of CBKinase1_006957 is 947403-17-0.
What is the molecular formula of CBKinase1_006957?
The molecular formula of CBKinase1_006957 is C20H20N2O6S.
What is the molecular weight of CBKinase1_006957?
The molecular weight of CBKinase1_006957 is 416.10 g/mol.
Where can I buy CBKinase1_006957?
You can request a quote for CBKinase1_006957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006957?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.