CBKinase1_004733
TL;DR: CBKinase1_004733 (CAS 694485-21-7) is a chemical compound with molecular formula C17H13BrN4O3S and molecular weight 431.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_004733, CBKinase1_017133, BRD-K14330437-001-01-1, 1-(4-bromophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-bromophenyl)-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C17H13BrN4O3S |
|---|---|
| Molecular Weight | 431.99 g/mol |
| LogP | 4.1278 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.98917 |
| Heavy Atoms | 26 |
| Complexity | 972.3943 |
Chemical Identifiers
| CAS Number | 694485-21-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_004733 (CAS 694485-21-7), with molecular formula C17H13BrN4O3S and molecular weight 431.99 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004733
Property Insights of CBKinase1_004733
The XLogP value of 4.1278 indicates that CBKinase1_004733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004733. Following Lipinski's Rule of Five, CBKinase1_004733 has 0 hydrogen bond donor(s) and 6 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_004733?
The CAS number of CBKinase1_004733 is 694485-21-7.
What is the molecular formula of CBKinase1_004733?
The molecular formula of CBKinase1_004733 is C17H13BrN4O3S.
What is the molecular weight of CBKinase1_004733?
The molecular weight of CBKinase1_004733 is 431.99 g/mol.
Where can I buy CBKinase1_004733?
You can request a quote for CBKinase1_004733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004733?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.