CBKinase1_008519
TL;DR: CBKinase1_008519 (CAS 445266-37-5) is a chemical compound with molecular formula C16H13F3N2O2S2 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: CBKinase1_008519, CBKinase1_020919, BAS 06900116, AM-807/12740468, BRD-K06886382-001-01-7
| Molecular Formula | C16H13F3N2O2S2 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 4.74428 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.03705 |
| Heavy Atoms | 25 |
| Complexity | 796.94165 |
Chemical Identifiers
| CAS Number | 445266-37-5 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
CBKinase1_008519 (CAS 445266-37-5), with molecular formula C16H13F3N2O2S2 and molecular weight 386.04 g/mol. IUPAC: propan-2-yl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of CBKinase1_008519
Property Insights of CBKinase1_008519
The XLogP value of 4.74428 indicates that CBKinase1_008519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008519. Following Lipinski's Rule of Five, CBKinase1_008519 has 0 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_008519?
The CAS number of CBKinase1_008519 is 445266-37-5.
What is the molecular formula of CBKinase1_008519?
The molecular formula of CBKinase1_008519 is C16H13F3N2O2S2.
What is the molecular weight of CBKinase1_008519?
The molecular weight of CBKinase1_008519 is 386.04 g/mol.
Where can I buy CBKinase1_008519?
You can request a quote for CBKinase1_008519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008519?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.