CBKinase1_009001
TL;DR: CBKinase1_009001 (CAS 690247-06-4) is a chemical compound with molecular formula C15H10F3N3O2S2 and molecular weight 385.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: CBKinase1_009001, CBKinase1_021401, IFLab1_006375, BRD-K76391971-001-01-0, 2-[[5-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C15H10F3N3O2S2 |
|---|---|
| Molecular Weight | 385.02 g/mol |
| LogP | 4.1913 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.01666 |
| Heavy Atoms | 25 |
| Complexity | 891.8162 |
Chemical Identifiers
| CAS Number | 690247-06-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3)C(F)(F)F |
Product Overview
CBKinase1_009001 (CAS 690247-06-4), with molecular formula C15H10F3N3O2S2 and molecular weight 385.02 g/mol. IUPAC: 2-[[5-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of CBKinase1_009001
Property Insights of CBKinase1_009001
The XLogP value of 4.1913 indicates that CBKinase1_009001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009001. Following Lipinski's Rule of Five, CBKinase1_009001 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_009001?
The CAS number of CBKinase1_009001 is 690247-06-4.
What is the molecular formula of CBKinase1_009001?
The molecular formula of CBKinase1_009001 is C15H10F3N3O2S2.
What is the molecular weight of CBKinase1_009001?
The molecular weight of CBKinase1_009001 is 385.02 g/mol.
Where can I buy CBKinase1_009001?
You can request a quote for CBKinase1_009001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009001?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.