CBKinase1_006694
TL;DR: CBKinase1_006694 (CAS 701280-88-8) is a chemical compound with molecular formula C20H17N5O4S and molecular weight 423.10 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]-N-(2-methyl-4-nitrophenyl)acetamide
Also Known As: CBKinase1_006694, CBKinase1_019094, BRD-K90192153-001-01-4, 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide, 2-[(5-benzofuran-2-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide
| Molecular Formula | C20H17N5O4S |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 4.17572 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.10013 |
| Heavy Atoms | 30 |
| Complexity | 1230.3108 |
Chemical Identifiers
| CAS Number | 701280-88-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=CC4=CC=CC=C4O3 |
Product Overview
CBKinase1_006694 (CAS 701280-88-8), with molecular formula C20H17N5O4S and molecular weight 423.10 g/mol. IUPAC: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_006694
Property Insights of CBKinase1_006694
The XLogP value of 4.17572 indicates that CBKinase1_006694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006694. Following Lipinski's Rule of Five, CBKinase1_006694 has 1 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_006694?
The CAS number of CBKinase1_006694 is 701280-88-8.
What is the molecular formula of CBKinase1_006694?
The molecular formula of CBKinase1_006694 is C20H17N5O4S.
What is the molecular weight of CBKinase1_006694?
The molecular weight of CBKinase1_006694 is 423.10 g/mol.
Where can I buy CBKinase1_006694?
You can request a quote for CBKinase1_006694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006694?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.