![7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one structure](/static/products/1466/146674-62-6.webp)
7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one
TL;DR: 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one (CAS 146674-62-6) is a chemical compound with molecular formula C29H31NO3S and molecular weight 473.20245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzyl-2-[hydroxy-(2-methoxyphenyl)methyl]-7-phenylsulfanyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Also Known As: 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one, Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(2-(2-methoxyphenyl)-1-oxopropyl)-, 1-oxide, (1-alpha,4a-alpha,6(R*),7a-alpha)-(-)-, 7-benzyl-2-[hydroxy-(2-methoxyphenyl)methyl]-7-phenylsulfanyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Technical Specifications
| Molecular Formula | C29H31NO3S |
| Molecular Weight | 473.20245 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.20245 Da |
| Heavy Atoms | 34 |
| Complexity | 676.0 |
| SMILES | COC1=CC=CC=C1C(N2CC3C(C2)C(CCC3=O)(CC4=CC=CC=C4)SC5=CC=CC=C5)O |
| InChIKey | MFJRFPYJWWDCAK-UHFFFAOYSA-N |
Chemical Property Profile of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one
Property Insights of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one
The XLogP value of 5.1 indicates that 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one. Following Lipinski's Rule of Five, 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one?
The CAS number of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one is 146674-62-6.
What is the molecular formula of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one?
The molecular formula of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one is C29H31NO3S.
What is the molecular weight of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one?
The molecular weight of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one is 473.20245 g/mol.
Where can I buy 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one?
You can request a quote for 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one?
Yes, CoreyChem provides custom synthesis services for 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.