![tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate structure](/static/products/2933/293320-00-0.webp)
tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate
TL;DR: tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate (CAS 293320-00-0) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate, A1680/0071696, tert-butyl 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate, (R)-tert-butyl 2-((5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl)thio)acetate, tert-butyl {[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 3.95468 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 998.6296 |
Chemical Identifiers
| CAS Number | 293320-00-0 |
|---|---|
| SMILES | CC1=C([C@H](C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C |
Product Overview
tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate (CAS 293320-00-0), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: tert-butyl 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate
Property Insights of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate
The XLogP value of 3.95468 indicates that tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate. Following Lipinski's Rule of Five, tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 8 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 tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate?
The CAS number of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate is 293320-00-0.
What is the molecular formula of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate?
The molecular formula of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate is C21H23N3O5S.
What is the molecular weight of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate?
The molecular weight of tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate is 429.14 g/mol.
Where can I buy tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate?
You can request a quote for tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl [(5-acetyl-3-cyano-4-{2-nitrophenyl}-6-methyl-1,4-dihydro-2-pyridinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.