CBKinase1_003812
TL;DR: CBKinase1_003812 (CAS 665017-63-0) is a chemical compound with molecular formula C17H18BrFN2O5S and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
Also Known As: CBKinase1_003812, CBKinase1_016212, AN-698/41932953, N-(4-bromo-2-fluorophenyl)-2-[[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino]acetamide, BRD-K11560123-001-01-5
| Molecular Formula | C17H18BrFN2O5S |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 2.8646 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.01038 |
| Heavy Atoms | 27 |
| Complexity | 952.3351 |
Chemical Identifiers
| CAS Number | 665017-63-0 |
|---|---|
| SMILES | CN(CC(=O)NC1=C(C=C(C=C1)Br)F)S(=O)(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
CBKinase1_003812 (CAS 665017-63-0), with molecular formula C17H18BrFN2O5S and molecular weight 460.01 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
Chemical Property Profile of CBKinase1_003812
Property Insights of CBKinase1_003812
The XLogP value of 2.8646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003812. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003812. Following Lipinski's Rule of Five, CBKinase1_003812 has 1 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_003812?
The CAS number of CBKinase1_003812 is 665017-63-0.
What is the molecular formula of CBKinase1_003812?
The molecular formula of CBKinase1_003812 is C17H18BrFN2O5S.
What is the molecular weight of CBKinase1_003812?
The molecular weight of CBKinase1_003812 is 460.01 g/mol.
Where can I buy CBKinase1_003812?
You can request a quote for CBKinase1_003812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003812?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.