![2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile structure](/static/products/4960/496010-74-3.webp)
2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
TL;DR: 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile (CAS 496010-74-3) is a chemical compound with molecular formula C27H28N2O2S and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl)-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carbonitrile
Also Known As: 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile, 2-(1,3-dioxo-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-(4-isopropylphenyl)-5-methylthiophene-3-carbonitrile, 2-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl)-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carbonitrile, 2-(8-ISOPROPYLIDENE-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)-4-(4-ISOPROPYLPHENYL)-5-METHYL-3-THIOPHENECARBONITRILE, 4-(4-isopropylphenyl)-5-methyl-2-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]-3-thiophenecarbonitrile
| Molecular Formula | C27H28N2O2S |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 6.2004 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.18716 |
| Heavy Atoms | 32 |
| Complexity | 1175.5165 |
Chemical Identifiers
| CAS Number | 496010-74-3 |
|---|---|
| SMILES | CC1=C(C(=C(S1)N2C(=O)C3C4CCC(C3C2=O)C4=C(C)C)C#N)C5=CC=C(C=C5)C(C)C |
Product Overview
2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile (CAS 496010-74-3), with molecular formula C27H28N2O2S and molecular weight 444.19 g/mol. IUPAC: 2-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl)-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carbonitrile.
Chemical Property Profile of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
Property Insights of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
The XLogP value of 6.2004 indicates that 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile?
The CAS number of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile is 496010-74-3.
What is the molecular formula of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile?
The molecular formula of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile is C27H28N2O2S.
What is the molecular weight of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile?
The molecular weight of 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile is 444.19 g/mol.
Where can I buy 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile?
You can request a quote for 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.