7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one
TL;DR: 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one (CAS 104939-68-6) is a chemical compound with molecular formula C21H23NO and molecular weight 305.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7a-methyl-1,3-diphenyl-2,3,3a,5,6,7-hexahydro-1H-isoindol-4-one
Also Known As: 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one, 7a-methyl-1,3-diphenyl-2,3,3a,5,6,7-hexahydro-1H-isoindol-4-one
| Molecular Formula | C21H23NO |
|---|---|
| Molecular Weight | 305.18 g/mol |
| LogP | 4.4477 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.17798 |
| Heavy Atoms | 23 |
| Complexity | 696.2962 |
Chemical Identifiers
| CAS Number | 104939-68-6 |
|---|---|
| SMILES | CC12CCCC(=O)C1C(NC2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one (CAS 104939-68-6), with molecular formula C21H23NO and molecular weight 305.18 g/mol. IUPAC: 7a-methyl-1,3-diphenyl-2,3,3a,5,6,7-hexahydro-1H-isoindol-4-one.
Chemical Property Profile of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one
Property Insights of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one
The XLogP value of 4.4477 indicates that 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one has 1 hydrogen bond donor(s) and 2 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 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one?
The CAS number of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one is 104939-68-6.
What is the molecular formula of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one?
The molecular formula of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one is C21H23NO.
What is the molecular weight of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one?
The molecular weight of 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one is 305.18 g/mol.
Where can I buy 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one?
You can request a quote for 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7a-methyl-1,3-diphenyloctahydro-4H-isoindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.