CBKinase1_002471
TL;DR: CBKinase1_002471 (CAS 678541-15-6) is a chemical compound with molecular formula C16H14BrN3O2S and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_002471, CBKinase1_014871, BRD-K93542993-001-01-1, 1-(4-bromophenyl)-2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-bromophenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
| Molecular Formula | C16H14BrN3O2S |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 4.2955 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.99902 |
| Heavy Atoms | 23 |
| Complexity | 797.357 |
Chemical Identifiers
| CAS Number | 678541-15-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC=CO3 |
Product Overview
CBKinase1_002471 (CAS 678541-15-6), with molecular formula C16H14BrN3O2S and molecular weight 391.00 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_002471
Property Insights of CBKinase1_002471
The XLogP value of 4.2955 indicates that CBKinase1_002471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002471. Following Lipinski's Rule of Five, CBKinase1_002471 has 0 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_002471?
The CAS number of CBKinase1_002471 is 678541-15-6.
What is the molecular formula of CBKinase1_002471?
The molecular formula of CBKinase1_002471 is C16H14BrN3O2S.
What is the molecular weight of CBKinase1_002471?
The molecular weight of CBKinase1_002471 is 391.00 g/mol.
Where can I buy CBKinase1_002471?
You can request a quote for CBKinase1_002471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002471?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.