CBKinase1_003952
TL;DR: CBKinase1_003952 (CAS 335221-57-3) is a chemical compound with molecular formula C23H20ClN5O2S and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003952, CBKinase1_016352, BAS 02538969, BRD-K44342778-001-01-7, N-(3-chloro-4-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H20ClN5O2S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 5.03052 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.10263 |
| Heavy Atoms | 32 |
| Complexity | 1229.1327 |
Chemical Identifiers
| CAS Number | 335221-57-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4)Cl |
Product Overview
CBKinase1_003952 (CAS 335221-57-3), with molecular formula C23H20ClN5O2S and molecular weight 465.10 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003952
Property Insights of CBKinase1_003952
The XLogP value of 5.03052 indicates that CBKinase1_003952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003952. Following Lipinski's Rule of Five, CBKinase1_003952 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_003952?
The CAS number of CBKinase1_003952 is 335221-57-3.
What is the molecular formula of CBKinase1_003952?
The molecular formula of CBKinase1_003952 is C23H20ClN5O2S.
What is the molecular weight of CBKinase1_003952?
The molecular weight of CBKinase1_003952 is 465.10 g/mol.
Where can I buy CBKinase1_003952?
You can request a quote for CBKinase1_003952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003952?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.