CBKinase1_002291
TL;DR: CBKinase1_002291 (CAS 693232-25-6) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: CBKinase1_002291, CBKinase1_014691, BRD-K91241926-001-01-4, 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.42952 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 984.9171 |
Chemical Identifiers
| CAS Number | 693232-25-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_002291 (CAS 693232-25-6), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002291
Property Insights of CBKinase1_002291
The XLogP value of 3.42952 indicates that CBKinase1_002291 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_002291. Following Lipinski's Rule of Five, CBKinase1_002291 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_002291?
The CAS number of CBKinase1_002291 is 693232-25-6.
What is the molecular formula of CBKinase1_002291?
The molecular formula of CBKinase1_002291 is C18H17N5O3S.
What is the molecular weight of CBKinase1_002291?
The molecular weight of CBKinase1_002291 is 383.11 g/mol.
Where can I buy CBKinase1_002291?
You can request a quote for CBKinase1_002291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002291?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.