N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
TL;DR: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (CAS 1005587-21-2) is a chemical compound with molecular formula C20H25ClN4OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
Also Known As: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanamide, N-[6-(TERT-BUTYL)-3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-3-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPANAMIDE
| Molecular Formula | C20H25ClN4OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 4.9579 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.14377 |
| Heavy Atoms | 27 |
| Complexity | 880.9491 |
Chemical Identifiers
| CAS Number | 1005587-21-2 |
|---|---|
| SMILES | CC1=NN(C=C1Cl)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N |
Product Overview
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide (CAS 1005587-21-2), with molecular formula C20H25ClN4OS and molecular weight 404.14 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide.
Chemical Property Profile of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
Property Insights of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
The XLogP value of 4.9579 indicates that N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide. Following Lipinski's Rule of Five, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide has 1 hydrogen bond donor(s) and 4 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 N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The CAS number of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is 1005587-21-2.
What is the molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The molecular formula of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is C20H25ClN4OS.
What is the molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The molecular weight of N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide is 404.14 g/mol.
Where can I buy N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
You can request a quote for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.