CBKinase1_003066
TL;DR: CBKinase1_003066 (CAS 694448-48-1) is a chemical compound with molecular formula C18H20N2O5S2 and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_003066, CBKinase1_015466, BRD-K86629254-001-01-9, 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide, N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(methylsulfanyl)phenyl]-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H20N2O5S2 |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 2.5844 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.08136 |
| Heavy Atoms | 27 |
| Complexity | 946.5182 |
Chemical Identifiers
| CAS Number | 694448-48-1 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C |
Product Overview
CBKinase1_003066 (CAS 694448-48-1), with molecular formula C18H20N2O5S2 and molecular weight 408.08 g/mol. IUPAC: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003066
Property Insights of CBKinase1_003066
The XLogP value of 2.5844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003066. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003066. Following Lipinski's Rule of Five, CBKinase1_003066 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_003066?
The CAS number of CBKinase1_003066 is 694448-48-1.
What is the molecular formula of CBKinase1_003066?
The molecular formula of CBKinase1_003066 is C18H20N2O5S2.
What is the molecular weight of CBKinase1_003066?
The molecular weight of CBKinase1_003066 is 408.08 g/mol.
Where can I buy CBKinase1_003066?
You can request a quote for CBKinase1_003066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003066?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.