CBKinase1_002479
TL;DR: CBKinase1_002479 (CAS 693231-69-5) is a chemical compound with molecular formula C19H18BrClN4O2S and molecular weight 480.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
Also Known As: CBKinase1_002479, CBKinase1_014879, BRD-K26926101-001-01-7, 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide, 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
| Molecular Formula | C19H18BrClN4O2S |
|---|---|
| Molecular Weight | 480.00 g/mol |
| LogP | 5.1203 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.00223 |
| Heavy Atoms | 28 |
| Complexity | 978.565 |
Chemical Identifiers
| CAS Number | 693231-69-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002479 (CAS 693231-69-5), with molecular formula C19H18BrClN4O2S and molecular weight 480.00 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_002479
Property Insights of CBKinase1_002479
The XLogP value of 5.1203 indicates that CBKinase1_002479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002479. Following Lipinski's Rule of Five, CBKinase1_002479 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002479?
The CAS number of CBKinase1_002479 is 693231-69-5.
What is the molecular formula of CBKinase1_002479?
The molecular formula of CBKinase1_002479 is C19H18BrClN4O2S.
What is the molecular weight of CBKinase1_002479?
The molecular weight of CBKinase1_002479 is 480.00 g/mol.
Where can I buy CBKinase1_002479?
You can request a quote for CBKinase1_002479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002479?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.