CBKinase1_004115
TL;DR: CBKinase1_004115 (CAS 694463-63-3) is a chemical compound with molecular formula C20H17BrN6O2S and molecular weight 484.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004115, CBKinase1_016515, BRD-K98150332-001-01-8, N-(4-acetamidophenyl)-2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H17BrN6O2S |
|---|---|
| Molecular Weight | 484.03 g/mol |
| LogP | 3.9682 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.0317 |
| Heavy Atoms | 30 |
| Complexity | 1272.0128 |
Chemical Identifiers
| CAS Number | 694463-63-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(N3C)C=CC(=C4)Br)N=N2 |
Product Overview
CBKinase1_004115 (CAS 694463-63-3), with molecular formula C20H17BrN6O2S and molecular weight 484.03 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004115
Property Insights of CBKinase1_004115
The XLogP value of 3.9682 indicates that CBKinase1_004115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004115. Following Lipinski's Rule of Five, CBKinase1_004115 has 2 hydrogen bond donor(s) and 6 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_004115?
The CAS number of CBKinase1_004115 is 694463-63-3.
What is the molecular formula of CBKinase1_004115?
The molecular formula of CBKinase1_004115 is C20H17BrN6O2S.
What is the molecular weight of CBKinase1_004115?
The molecular weight of CBKinase1_004115 is 484.03 g/mol.
Where can I buy CBKinase1_004115?
You can request a quote for CBKinase1_004115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004115?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.