CBKinase1_007351
TL;DR: CBKinase1_007351 (CAS 708252-21-5) is a chemical compound with molecular formula C16H12BrN5O2S and molecular weight 416.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
Also Known As: CBKinase1_007351, CBKinase1_019751, AN-023/42555906, BRD-K61268829-001-01-1, 3-(4-bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
| Molecular Formula | C16H12BrN5O2S |
|---|---|
| Molecular Weight | 416.99 g/mol |
| LogP | 4.1799 |
| Topological Polar Surface Area | 82.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.9895 |
| Heavy Atoms | 25 |
| Complexity | 978.5637 |
Chemical Identifiers
| CAS Number | 708252-21-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)Br)C4=CC=CO4 |
Product Overview
CBKinase1_007351 (CAS 708252-21-5), with molecular formula C16H12BrN5O2S and molecular weight 416.99 g/mol. IUPAC: 3-(4-bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
Chemical Property Profile of CBKinase1_007351
Property Insights of CBKinase1_007351
The XLogP value of 4.1799 indicates that CBKinase1_007351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.77 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007351. Following Lipinski's Rule of Five, CBKinase1_007351 has 0 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_007351?
The CAS number of CBKinase1_007351 is 708252-21-5.
What is the molecular formula of CBKinase1_007351?
The molecular formula of CBKinase1_007351 is C16H12BrN5O2S.
What is the molecular weight of CBKinase1_007351?
The molecular weight of CBKinase1_007351 is 416.99 g/mol.
Where can I buy CBKinase1_007351?
You can request a quote for CBKinase1_007351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007351?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.