CBKinase1_003540
TL;DR: CBKinase1_003540 (CAS 333323-59-4) is a chemical compound with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
Also Known As: CBKinase1_003540, CBKinase1_015940, BAS 02223776, BRD-K60377491-001-01-8, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
| Molecular Formula | C19H18ClN5O3S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 4.56582 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.08188 |
| Heavy Atoms | 29 |
| Complexity | 1052.4982 |
Chemical Identifiers
| CAS Number | 333323-59-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_003540 (CAS 333323-59-4), with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_003540
Property Insights of CBKinase1_003540
The XLogP value of 4.56582 indicates that CBKinase1_003540 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_003540. Following Lipinski's Rule of Five, CBKinase1_003540 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_003540?
The CAS number of CBKinase1_003540 is 333323-59-4.
What is the molecular formula of CBKinase1_003540?
The molecular formula of CBKinase1_003540 is C19H18ClN5O3S.
What is the molecular weight of CBKinase1_003540?
The molecular weight of CBKinase1_003540 is 431.08 g/mol.
Where can I buy CBKinase1_003540?
You can request a quote for CBKinase1_003540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003540?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.