CBKinase1_002337
TL;DR: CBKinase1_002337 (CAS 332935-17-8) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_002337, CBKinase1_014737, BAS 01916098, BRD-K16135604-001-01-9, N-(3,4-dimethylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 5.19014 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1303.6915 |
Chemical Identifiers
| CAS Number | 332935-17-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
CBKinase1_002337 (CAS 332935-17-8), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002337
Property Insights of CBKinase1_002337
The XLogP value of 5.19014 indicates that CBKinase1_002337 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_002337. Following Lipinski's Rule of Five, CBKinase1_002337 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002337?
The CAS number of CBKinase1_002337 is 332935-17-8.
What is the molecular formula of CBKinase1_002337?
The molecular formula of CBKinase1_002337 is C24H21N5O3S.
What is the molecular weight of CBKinase1_002337?
The molecular weight of CBKinase1_002337 is 459.14 g/mol.
Where can I buy CBKinase1_002337?
You can request a quote for CBKinase1_002337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002337?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.