4 -Methylaminoavarone
TL;DR: 4 -Methylaminoavarone (CAS 83995-05-5) 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]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 4 -Methylaminoavarone, 2,5-Cyclohexadiene-1,4-dione, 2-(methylamino)-5-(((1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, Benzoic acid,4-amino-3-(methylsulfonyl)-,methyl ester, 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE
| 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 | 83995-05-5 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C(=CC3=O)NC)CCC=C2C)C |
| InChIKey | AGVBOCPGXNSSLL-NRVXSKMLSA-N |
Product Overview
4 -Methylaminoavarone (CAS 83995-05-5), 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]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 4 -Methylaminoavarone
Property Insights of 4 -Methylaminoavarone
The XLogP value of 5.0 indicates that 4 -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, 4 -Methylaminoavarone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4 -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 4 -Methylaminoavarone?
The CAS number of 4 -Methylaminoavarone is 83995-05-5.
What is the molecular formula of 4 -Methylaminoavarone?
The molecular formula of 4 -Methylaminoavarone is C22H31NO2.
What is the molecular weight of 4 -Methylaminoavarone?
The molecular weight of 4 -Methylaminoavarone is 341.24 g/mol.
Where can I buy 4 -Methylaminoavarone?
You can request a quote for 4 -Methylaminoavarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4 -Methylaminoavarone?
Yes, KEHONG BIO provides custom synthesis services for 4 -Methylaminoavarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.