CBKinase1_004688
TL;DR: CBKinase1_004688 (CAS 694486-74-3) is a chemical compound with molecular formula C17H13BrClN5O3S and molecular weight 480.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-chlorophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004688, CBKinase1_017088, BRD-K41720570-001-01-7, N-(4-bromo-2-chlorophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2-chlorophenyl)-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H13BrClN5O3S |
|---|---|
| Molecular Weight | 480.96 g/mol |
| LogP | 4.537 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.9611 |
| Heavy Atoms | 28 |
| Complexity | 1059.0222 |
Chemical Identifiers
| CAS Number | 694486-74-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)Cl)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_004688 (CAS 694486-74-3), with molecular formula C17H13BrClN5O3S and molecular weight 480.96 g/mol. IUPAC: N-(4-bromo-2-chlorophenyl)-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004688
Property Insights of CBKinase1_004688
The XLogP value of 4.537 indicates that CBKinase1_004688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004688. Following Lipinski's Rule of Five, CBKinase1_004688 has 1 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_004688?
The CAS number of CBKinase1_004688 is 694486-74-3.
What is the molecular formula of CBKinase1_004688?
The molecular formula of CBKinase1_004688 is C17H13BrClN5O3S.
What is the molecular weight of CBKinase1_004688?
The molecular weight of CBKinase1_004688 is 480.96 g/mol.
Where can I buy CBKinase1_004688?
You can request a quote for CBKinase1_004688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004688?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.