CBKinase1_003239
TL;DR: CBKinase1_003239 (CAS 669697-08-9) is a chemical compound with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003239, CBKinase1_015639, BRD-K77004601-001-01-6, N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, Acetamide, N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
| Molecular Formula | C19H19BrN4OS |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.68586 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0463 |
| Heavy Atoms | 26 |
| Complexity | 937.2122 |
Chemical Identifiers
| CAS Number | 669697-08-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)Br)C |
Product Overview
CBKinase1_003239 (CAS 669697-08-9), with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003239
Property Insights of CBKinase1_003239
The XLogP value of 4.68586 indicates that CBKinase1_003239 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_003239 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003239 has 1 hydrogen bond donor(s) and 4 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_003239?
The CAS number of CBKinase1_003239 is 669697-08-9.
What is the molecular formula of CBKinase1_003239?
The molecular formula of CBKinase1_003239 is C19H19BrN4OS.
What is the molecular weight of CBKinase1_003239?
The molecular weight of CBKinase1_003239 is 430.05 g/mol.
Where can I buy CBKinase1_003239?
You can request a quote for CBKinase1_003239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003239?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.