CBKinase1_008536
TL;DR: CBKinase1_008536 (CAS 625376-46-7) is a chemical compound with molecular formula C16H10BrF3N2O2S and molecular weight 429.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
Also Known As: CBKinase1_008536, CBKinase1_020936, 3-{[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic acid, AM-807/41461934, 3-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic Acid
| Molecular Formula | C16H10BrF3N2O2S |
|---|---|
| Molecular Weight | 429.96 g/mol |
| LogP | 4.96838 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.95984 |
| Heavy Atoms | 25 |
| Complexity | 832.9991 |
Chemical Identifiers
| CAS Number | 625376-46-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)O)Br |
Product Overview
CBKinase1_008536 (CAS 625376-46-7), with molecular formula C16H10BrF3N2O2S and molecular weight 429.96 g/mol. IUPAC: 3-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid.
Chemical Property Profile of CBKinase1_008536
Property Insights of CBKinase1_008536
The XLogP value of 4.96838 indicates that CBKinase1_008536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008536. Following Lipinski's Rule of Five, CBKinase1_008536 has 1 hydrogen bond donor(s) and 4 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_008536?
The CAS number of CBKinase1_008536 is 625376-46-7.
What is the molecular formula of CBKinase1_008536?
The molecular formula of CBKinase1_008536 is C16H10BrF3N2O2S.
What is the molecular weight of CBKinase1_008536?
The molecular weight of CBKinase1_008536 is 429.96 g/mol.
Where can I buy CBKinase1_008536?
You can request a quote for CBKinase1_008536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008536?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.