CBKinase1_002712
TL;DR: CBKinase1_002712 (CAS 591763-50-7) 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.
N-(2-bromo-4,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002712, CBKinase1_015112, N-(2-bromo-4,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide, BRD-K36127683-001-01-6
| 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 | 896.59174 |
Chemical Identifiers
| CAS Number | 591763-50-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3 |
Product Overview
CBKinase1_002712 (CAS 591763-50-7), with molecular formula C18H16BrN3O2S and molecular weight 417.01 g/mol. IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002712
Property Insights of CBKinase1_002712
The XLogP value of 4.84674 indicates that CBKinase1_002712 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_002712. Following Lipinski's Rule of Five, CBKinase1_002712 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_002712?
The CAS number of CBKinase1_002712 is 591763-50-7.
What is the molecular formula of CBKinase1_002712?
The molecular formula of CBKinase1_002712 is C18H16BrN3O2S.
What is the molecular weight of CBKinase1_002712?
The molecular weight of CBKinase1_002712 is 417.01 g/mol.
Where can I buy CBKinase1_002712?
You can request a quote for CBKinase1_002712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002712?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.