CBKinase1_003398
TL;DR: CBKinase1_003398 (CAS 669697-09-0) is a chemical compound with molecular formula C19H16ClF3N4OS and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003398, CBKinase1_015798, BRD-K24833849-001-01-4, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H16ClF3N4OS |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 5.28714 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.06854 |
| Heavy Atoms | 29 |
| Complexity | 1034.9238 |
Chemical Identifiers
| CAS Number | 669697-09-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C |
Product Overview
CBKinase1_003398 (CAS 669697-09-0), with molecular formula C19H16ClF3N4OS and molecular weight 440.07 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003398
Property Insights of CBKinase1_003398
The XLogP value of 5.28714 indicates that CBKinase1_003398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_003398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003398 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003398?
The CAS number of CBKinase1_003398 is 669697-09-0.
What is the molecular formula of CBKinase1_003398?
The molecular formula of CBKinase1_003398 is C19H16ClF3N4OS.
What is the molecular weight of CBKinase1_003398?
The molecular weight of CBKinase1_003398 is 440.07 g/mol.
Where can I buy CBKinase1_003398?
You can request a quote for CBKinase1_003398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003398?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.