CBKinase1_004099
TL;DR: CBKinase1_004099 (CAS 694460-89-4) is a chemical compound with molecular formula C20H21BrN4O2S and molecular weight 460.06 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-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004099, CBKinase1_016499, BRD-K30958631-001-01-3, N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H21BrN4O2S |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 4.60084 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.05685 |
| Heavy Atoms | 28 |
| Complexity | 1002.1854 |
Chemical Identifiers
| CAS Number | 694460-89-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC |
Product Overview
CBKinase1_004099 (CAS 694460-89-4), with molecular formula C20H21BrN4O2S and molecular weight 460.06 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004099
Property Insights of CBKinase1_004099
The XLogP value of 4.60084 indicates that CBKinase1_004099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004099. Following Lipinski's Rule of Five, CBKinase1_004099 has 1 hydrogen bond donor(s) and 5 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_004099?
The CAS number of CBKinase1_004099 is 694460-89-4.
What is the molecular formula of CBKinase1_004099?
The molecular formula of CBKinase1_004099 is C20H21BrN4O2S.
What is the molecular weight of CBKinase1_004099?
The molecular weight of CBKinase1_004099 is 460.06 g/mol.
Where can I buy CBKinase1_004099?
You can request a quote for CBKinase1_004099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004099?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.