CBKinase1_005498
TL;DR: CBKinase1_005498 (CAS 701221-53-6) is a chemical compound with molecular formula C18H15Cl2N5O3S and molecular weight 451.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005498, CBKinase1_017898, BRD-K68431387-001-01-2, N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,3-dichlorophenyl)-2-{[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H15Cl2N5O3S |
|---|---|
| Molecular Weight | 451.03 g/mol |
| LogP | 4.9108 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.02725 |
| Heavy Atoms | 29 |
| Complexity | 1056.1501 |
Chemical Identifiers
| CAS Number | 701221-53-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_005498 (CAS 701221-53-6), with molecular formula C18H15Cl2N5O3S and molecular weight 451.03 g/mol. IUPAC: N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005498
Property Insights of CBKinase1_005498
The XLogP value of 4.9108 indicates that CBKinase1_005498 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_005498. Following Lipinski's Rule of Five, CBKinase1_005498 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_005498?
The CAS number of CBKinase1_005498 is 701221-53-6.
What is the molecular formula of CBKinase1_005498?
The molecular formula of CBKinase1_005498 is C18H15Cl2N5O3S.
What is the molecular weight of CBKinase1_005498?
The molecular weight of CBKinase1_005498 is 451.03 g/mol.
Where can I buy CBKinase1_005498?
You can request a quote for CBKinase1_005498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005498?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.