CBKinase1_002243
TL;DR: CBKinase1_002243 (CAS 693231-52-6) 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.
N-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: CBKinase1_002243, CBKinase1_014643, BRD-A41908809-001-01-3, N-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide, N-(4-chlorophenyl)-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
| Molecular Formula | C19H18ClN5O3S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 4.5531 |
| 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 | 1021.3288 |
Chemical Identifiers
| CAS Number | 693231-52-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_002243 (CAS 693231-52-6), with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol. IUPAC: N-(4-chlorophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of CBKinase1_002243
Property Insights of CBKinase1_002243
The XLogP value of 4.5531 indicates that CBKinase1_002243 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_002243. Following Lipinski's Rule of Five, CBKinase1_002243 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_002243?
The CAS number of CBKinase1_002243 is 693231-52-6.
What is the molecular formula of CBKinase1_002243?
The molecular formula of CBKinase1_002243 is C19H18ClN5O3S.
What is the molecular weight of CBKinase1_002243?
The molecular weight of CBKinase1_002243 is 431.08 g/mol.
Where can I buy CBKinase1_002243?
You can request a quote for CBKinase1_002243 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002243?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002243 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.