CBKinase1_002801
TL;DR: CBKinase1_002801 (CAS 693254-18-1) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)acetamide
Also Known As: CBKinase1_002801, CBKinase1_015201, BRD-K58482329-001-01-8, 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)acetamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-acetylphenyl)acetamide
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.3739 |
| Topological Polar Surface Area | 105.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1092.2762 |
Chemical Identifiers
| CAS Number | 693254-18-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C |
Product Overview
CBKinase1_002801 (CAS 693254-18-1), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-acetylphenyl)acetamide.
Chemical Property Profile of CBKinase1_002801
Property Insights of CBKinase1_002801
The XLogP value of 3.3739 indicates that CBKinase1_002801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002801. Following Lipinski's Rule of Five, CBKinase1_002801 has 2 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_002801?
The CAS number of CBKinase1_002801 is 693254-18-1.
What is the molecular formula of CBKinase1_002801?
The molecular formula of CBKinase1_002801 is C21H21N5O3S.
What is the molecular weight of CBKinase1_002801?
The molecular weight of CBKinase1_002801 is 423.14 g/mol.
Where can I buy CBKinase1_002801?
You can request a quote for CBKinase1_002801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002801?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.