CBKinase1_003404
TL;DR: CBKinase1_003404 (CAS 332936-82-0) is a chemical compound with molecular formula C21H21N5OS2 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003404, CBKinase1_015804, BAS 01918472, BRD-K16086503-001-01-6, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H21N5OS2 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.3333 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.11874 |
| Heavy Atoms | 29 |
| Complexity | 1108.9623 |
Chemical Identifiers
| CAS Number | 332936-82-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
CBKinase1_003404 (CAS 332936-82-0), with molecular formula C21H21N5OS2 and molecular weight 423.12 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003404
Property Insights of CBKinase1_003404
The XLogP value of 4.3333 indicates that CBKinase1_003404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003404. Following Lipinski's Rule of Five, CBKinase1_003404 has 1 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_003404?
The CAS number of CBKinase1_003404 is 332936-82-0.
What is the molecular formula of CBKinase1_003404?
The molecular formula of CBKinase1_003404 is C21H21N5OS2.
What is the molecular weight of CBKinase1_003404?
The molecular weight of CBKinase1_003404 is 423.12 g/mol.
Where can I buy CBKinase1_003404?
You can request a quote for CBKinase1_003404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003404?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.