CBKinase1_003082
TL;DR: CBKinase1_003082 (CAS 692771-62-3) is a chemical compound with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide
Also Known As: CBKinase1_003082, CBKinase1_015482, BRD-A36029405-001-01-3, 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide, 2-({5-[4-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)butanamide
| Molecular Formula | C21H22BrN5O2S |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.06775 |
| Heavy Atoms | 30 |
| Complexity | 1034.5552 |
Chemical Identifiers
| CAS Number | 692771-62-3 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C |
Product Overview
CBKinase1_003082 (CAS 692771-62-3), with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol. IUPAC: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide.
Chemical Property Profile of CBKinase1_003082
Property Insights of CBKinase1_003082
The XLogP value of 4.7124 indicates that CBKinase1_003082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003082. Following Lipinski's Rule of Five, CBKinase1_003082 has 2 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_003082?
The CAS number of CBKinase1_003082 is 692771-62-3.
What is the molecular formula of CBKinase1_003082?
The molecular formula of CBKinase1_003082 is C21H22BrN5O2S.
What is the molecular weight of CBKinase1_003082?
The molecular weight of CBKinase1_003082 is 487.07 g/mol.
Where can I buy CBKinase1_003082?
You can request a quote for CBKinase1_003082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003082?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.