CBKinase1_011366
TL;DR: CBKinase1_011366 (CAS 767327-00-4) is a chemical compound with molecular formula C19H14N4O4S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: CBKinase1_011366, CBKinase1_023766, BRD-K21378103-001-01-4, 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone, 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
| Molecular Formula | C19H14N4O4S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.1115 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.07358 |
| Heavy Atoms | 28 |
| Complexity | 1164.597 |
Chemical Identifiers
| CAS Number | 767327-00-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3 |
Product Overview
CBKinase1_011366 (CAS 767327-00-4), with molecular formula C19H14N4O4S and molecular weight 394.07 g/mol. IUPAC: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of CBKinase1_011366
Property Insights of CBKinase1_011366
The XLogP value of 4.1115 indicates that CBKinase1_011366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011366. Following Lipinski's Rule of Five, CBKinase1_011366 has 0 hydrogen bond donor(s) and 7 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_011366?
The CAS number of CBKinase1_011366 is 767327-00-4.
What is the molecular formula of CBKinase1_011366?
The molecular formula of CBKinase1_011366 is C19H14N4O4S.
What is the molecular weight of CBKinase1_011366?
The molecular weight of CBKinase1_011366 is 394.07 g/mol.
Where can I buy CBKinase1_011366?
You can request a quote for CBKinase1_011366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011366?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.