CBKinase1_002078
TL;DR: CBKinase1_002078 (CAS 693230-53-4) is a chemical compound with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Also Known As: CBKinase1_002078, CBKinase1_014478, BRD-K07604023-001-01-8, 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
| Molecular Formula | C18H16BrN3O2S |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 4.84674 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.01465 |
| Heavy Atoms | 25 |
| Complexity | 893.59174 |
Chemical Identifiers
| CAS Number | 693230-53-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)C |
Product Overview
CBKinase1_002078 (CAS 693230-53-4), with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002078
Property Insights of CBKinase1_002078
The XLogP value of 4.84674 indicates that CBKinase1_002078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002078. Following Lipinski's Rule of Five, CBKinase1_002078 has 1 hydrogen bond donor(s) and 5 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_002078?
The CAS number of CBKinase1_002078 is 693230-53-4.
What is the molecular formula of CBKinase1_002078?
The molecular formula of CBKinase1_002078 is C18H16BrN3O2S.
What is the molecular weight of CBKinase1_002078?
The molecular weight of CBKinase1_002078 is 417.01 g/mol.
Where can I buy CBKinase1_002078?
You can request a quote for CBKinase1_002078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002078?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.