![N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide structure](/static/products/328/328068-59-3.png)
N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide
TL;DR: N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide (CAS 328068-59-3) is a chemical compound with molecular formula C27H35N5OS and molecular weight 477.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioamide
Also Known As: N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide, N-benzyl-4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioamide, N-benzyl-4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioamide
| Molecular Formula | C27H35N5OS |
|---|---|
| Molecular Weight | 477.26 g/mol |
| LogP | 4.19978 |
| Topological Polar Surface Area | 64.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.25623 |
| Heavy Atoms | 34 |
| Complexity | 1068.6635 |
Chemical Identifiers
| CAS Number | 328068-59-3 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C2=C1COC(C2)(C)C)C#N)N3CCN(CC3)C(=S)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide (CAS 328068-59-3), with molecular formula C27H35N5OS and molecular weight 477.26 g/mol. IUPAC: N-benzyl-4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-6-yl]piperazine-1-carbothioamide.
Chemical Property Profile of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide
Property Insights of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide
The XLogP value of 4.19978 indicates that N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.42 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide 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 N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide?
The CAS number of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide is 328068-59-3.
What is the molecular formula of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide?
The molecular formula of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide is C27H35N5OS.
What is the molecular weight of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide?
The molecular weight of N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide is 477.26 g/mol.
Where can I buy N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide?
You can request a quote for N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-(5-cyano-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.