![2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/6989/698980-48-2.webp)
2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 698980-48-2) is a chemical compound with molecular formula C26H29N3O and molecular weight 399.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-2-methylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, AO-022/43176000, A3666/0155392, 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-(1-benzyl-2-methylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
| Molecular Formula | C26H29N3O |
|---|---|
| Molecular Weight | 399.23 g/mol |
| LogP | 4.22312 |
| Topological Polar Surface Area | 28.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.23105 |
| Heavy Atoms | 30 |
| Complexity | 1121.7404 |
Chemical Identifiers
| CAS Number | 698980-48-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C4N5CC6(CN4CC(C5)(C6=O)C)C |
Product Overview
2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 698980-48-2), with molecular formula C26H29N3O and molecular weight 399.23 g/mol. IUPAC: 2-(1-benzyl-2-methylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 4.22312 indicates that 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.48 Ų, 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 0 hydrogen bond donor(s) and 3 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 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 698980-48-2.
What is the molecular formula of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C26H29N3O.
What is the molecular weight of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 399.23 g/mol.
Where can I buy 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzyl-2-methyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.