CBKinase1_008189
TL;DR: CBKinase1_008189 (CAS 824970-75-4) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
Also Known As: CBKinase1_008189, CBKinase1_020589, BRD-K03292221-001-01-6, 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.6731 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1025.4604 |
Chemical Identifiers
| CAS Number | 824970-75-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
CBKinase1_008189 (CAS 824970-75-4), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_008189
Property Insights of CBKinase1_008189
The XLogP value of 4.6731 indicates that CBKinase1_008189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008189. Following Lipinski's Rule of Five, CBKinase1_008189 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_008189?
The CAS number of CBKinase1_008189 is 824970-75-4.
What is the molecular formula of CBKinase1_008189?
The molecular formula of CBKinase1_008189 is C20H20N4O4S.
What is the molecular weight of CBKinase1_008189?
The molecular weight of CBKinase1_008189 is 412.12 g/mol.
Where can I buy CBKinase1_008189?
You can request a quote for CBKinase1_008189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008189?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.