CBKinase1_006254
TL;DR: CBKinase1_006254 (CAS 701969-63-3) is a chemical compound with molecular formula C24H21BrN4OS and molecular weight 492.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_006254, CBKinase1_018654, BRD-K15948842-001-01-8, N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C24H21BrN4OS |
|---|---|
| Molecular Weight | 492.06 g/mol |
| LogP | 6.04444 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.06195 |
| Heavy Atoms | 31 |
| Complexity | 1209.2438 |
Chemical Identifiers
| CAS Number | 701969-63-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
CBKinase1_006254 (CAS 701969-63-3), with molecular formula C24H21BrN4OS and molecular weight 492.06 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_006254
Property Insights of CBKinase1_006254
The XLogP value of 6.04444 indicates that CBKinase1_006254 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_006254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_006254 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_006254?
The CAS number of CBKinase1_006254 is 701969-63-3.
What is the molecular formula of CBKinase1_006254?
The molecular formula of CBKinase1_006254 is C24H21BrN4OS.
What is the molecular weight of CBKinase1_006254?
The molecular weight of CBKinase1_006254 is 492.06 g/mol.
Where can I buy CBKinase1_006254?
You can request a quote for CBKinase1_006254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006254?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.