CBKinase1_005016
TL;DR: CBKinase1_005016 (CAS 695171-22-3) is a chemical compound with molecular formula C14H11N5OS3 and molecular weight 361.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: CBKinase1_005016, CBKinase1_017416, BRD-K16147531-001-01-2, 2-(1,3-benzothiazol-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 1-(1,3-BENZOTHIAZOL-2-YL)-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C14H11N5OS3 |
|---|---|
| Molecular Weight | 361.01 g/mol |
| LogP | 3.34122 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.01257 |
| Heavy Atoms | 23 |
| Complexity | 882.92834 |
Chemical Identifiers
| CAS Number | 695171-22-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=NN(C(=O)C2)C3=NC4=CC=CC=C4S3 |
Product Overview
CBKinase1_005016 (CAS 695171-22-3), with molecular formula C14H11N5OS3 and molecular weight 361.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of CBKinase1_005016
Property Insights of CBKinase1_005016
The XLogP value of 3.34122 indicates that CBKinase1_005016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005016. Following Lipinski's Rule of Five, CBKinase1_005016 has 0 hydrogen bond donor(s) and 8 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_005016?
The CAS number of CBKinase1_005016 is 695171-22-3.
What is the molecular formula of CBKinase1_005016?
The molecular formula of CBKinase1_005016 is C14H11N5OS3.
What is the molecular weight of CBKinase1_005016?
The molecular weight of CBKinase1_005016 is 361.01 g/mol.
Where can I buy CBKinase1_005016?
You can request a quote for CBKinase1_005016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005016?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.