CBKinase1_003191
TL;DR: CBKinase1_003191 (CAS 907986-11-2) is a chemical compound with molecular formula C16H20N6O2S and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003191, CBKinase1_015591, BRD-K66572927-001-01-2, N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C16H20N6O2S |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 2.63914 |
| Topological Polar Surface Area | 90.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.13684 |
| Heavy Atoms | 25 |
| Complexity | 880.9637 |
Chemical Identifiers
| CAS Number | 907986-11-2 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)NC(=O)CSC2=NN=C(N2C)C3=CC=CO3)C |
Product Overview
CBKinase1_003191 (CAS 907986-11-2), with molecular formula C16H20N6O2S and molecular weight 360.14 g/mol. IUPAC: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003191
Property Insights of CBKinase1_003191
The XLogP value of 2.63914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003191. The TPSA of 90.77 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003191. Following Lipinski's Rule of Five, CBKinase1_003191 has 1 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_003191?
The CAS number of CBKinase1_003191 is 907986-11-2.
What is the molecular formula of CBKinase1_003191?
The molecular formula of CBKinase1_003191 is C16H20N6O2S.
What is the molecular weight of CBKinase1_003191?
The molecular weight of CBKinase1_003191 is 360.14 g/mol.
Where can I buy CBKinase1_003191?
You can request a quote for CBKinase1_003191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003191?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.