CBKinase1_008460
TL;DR: CBKinase1_008460 (CAS 665000-15-7) is a chemical compound with molecular formula C21H14F3N3O3S2 and molecular weight 477.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_008460, CBKinase1_020860, AM-807/41931362, BRD-K98966904-001-01-5, methyl 2-[({[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C21H14F3N3O3S2 |
|---|---|
| Molecular Weight | 477.04 g/mol |
| LogP | 5.21798 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.04288 |
| Heavy Atoms | 32 |
| Complexity | 1189.2311 |
Chemical Identifiers
| CAS Number | 665000-15-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
CBKinase1_008460 (CAS 665000-15-7), with molecular formula C21H14F3N3O3S2 and molecular weight 477.04 g/mol. IUPAC: methyl 2-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_008460
Property Insights of CBKinase1_008460
The XLogP value of 5.21798 indicates that CBKinase1_008460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008460. Following Lipinski's Rule of Five, CBKinase1_008460 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008460?
The CAS number of CBKinase1_008460 is 665000-15-7.
What is the molecular formula of CBKinase1_008460?
The molecular formula of CBKinase1_008460 is C21H14F3N3O3S2.
What is the molecular weight of CBKinase1_008460?
The molecular weight of CBKinase1_008460 is 477.04 g/mol.
Where can I buy CBKinase1_008460?
You can request a quote for CBKinase1_008460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008460?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.