CBKinase1_005194
TL;DR: CBKinase1_005194 (CAS 700857-50-7) is a chemical compound with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: CBKinase1_005194, CBKinase1_017594, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, BRD-A48398315-001-01-7, 2-(5-methyl(1,3,4-thiadiazol-2-ylthio))-1-(5-phenyl(2-pyrazolinyl))ethan-1-one
| Molecular Formula | C14H14N4OS2 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 2.89802 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0609 |
| Heavy Atoms | 21 |
| Complexity | 656.0034 |
Chemical Identifiers
| CAS Number | 700857-50-7 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)N2C(CC=N2)C3=CC=CC=C3 |
Product Overview
CBKinase1_005194 (CAS 700857-50-7), with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol. IUPAC: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
Chemical Property Profile of CBKinase1_005194
Property Insights of CBKinase1_005194
The XLogP value of 2.89802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005194. With a topological polar surface area (TPSA) of 58.45 Ų, CBKinase1_005194 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005194 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_005194?
The CAS number of CBKinase1_005194 is 700857-50-7.
What is the molecular formula of CBKinase1_005194?
The molecular formula of CBKinase1_005194 is C14H14N4OS2.
What is the molecular weight of CBKinase1_005194?
The molecular weight of CBKinase1_005194 is 318.06 g/mol.
Where can I buy CBKinase1_005194?
You can request a quote for CBKinase1_005194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005194?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.