3 -Methylaminoavarone
TL;DR: 3 -Methylaminoavarone (CAS 83995-06-6) is a chemical compound with molecular formula C22H31NO2 and molecular weight 341.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 3 -Methylaminoavarone, Boron monofluoride monosulfide, 2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-6-(((1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, 2-(Methylamino)-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C22H31NO2 |
|---|---|
| Molecular Weight | 341.24 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.23547 |
| Heavy Atoms | 25 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 83995-06-6 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C=C(C3=O)NC)CCC=C2C)C |
| InChIKey | LOWIFWWFLCSJQW-SFPRVHAESA-N |
Product Overview
3 -Methylaminoavarone (CAS 83995-06-6), with molecular formula C22H31NO2 and molecular weight 341.24 g/mol. IUPAC: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-(methylamino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3 -Methylaminoavarone
Property Insights of 3 -Methylaminoavarone
The XLogP value of 5.0 indicates that 3 -Methylaminoavarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 3 -Methylaminoavarone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3 -Methylaminoavarone has 1 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 3 -Methylaminoavarone?
The CAS number of 3 -Methylaminoavarone is 83995-06-6.
What is the molecular formula of 3 -Methylaminoavarone?
The molecular formula of 3 -Methylaminoavarone is C22H31NO2.
What is the molecular weight of 3 -Methylaminoavarone?
The molecular weight of 3 -Methylaminoavarone is 341.24 g/mol.
Where can I buy 3 -Methylaminoavarone?
You can request a quote for 3 -Methylaminoavarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3 -Methylaminoavarone?
Yes, KEHONG BIO provides custom synthesis services for 3 -Methylaminoavarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.