CBKinase1_008413
TL;DR: CBKinase1_008413 (CAS 674806-01-0) is a chemical compound with molecular formula C20H18F3N3O5S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4,5-dimethoxybenzoate
Also Known As: CBKinase1_008413, CBKinase1_020813, methyl 2-[(2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-4,5-dimethoxybenzenecarboxylate, BRD-K77327213-001-01-1, methyl 2-[[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C20H18F3N3O5S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 3.8151 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.09192 |
| Heavy Atoms | 32 |
| Complexity | 1083.6158 |
Chemical Identifiers
| CAS Number | 674806-01-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C#N)C(F)(F)F |
Product Overview
CBKinase1_008413 (CAS 674806-01-0), with molecular formula C20H18F3N3O5S and molecular weight 469.09 g/mol. IUPAC: methyl 2-[[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of CBKinase1_008413
Property Insights of CBKinase1_008413
The XLogP value of 3.8151 indicates that CBKinase1_008413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008413. Following Lipinski's Rule of Five, CBKinase1_008413 has 1 hydrogen bond donor(s) and 8 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_008413?
The CAS number of CBKinase1_008413 is 674806-01-0.
What is the molecular formula of CBKinase1_008413?
The molecular formula of CBKinase1_008413 is C20H18F3N3O5S.
What is the molecular weight of CBKinase1_008413?
The molecular weight of CBKinase1_008413 is 469.09 g/mol.
Where can I buy CBKinase1_008413?
You can request a quote for CBKinase1_008413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008413?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.