![2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione structure](/static/products/1025/102580-79-0.webp)
2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione (CAS 102580-79-0) is a chemical compound with molecular formula C23H33NO2 and molecular weight 355.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-(ethylamino)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-(ethylamino)-5-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1alpha,2beta,4abeta,8aalpha))-, 2,5-Cyclohexadiene-1,4-dione,2-(ethylamino)-5-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI), 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-(ethylamino)cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2-(ethylamino)-5-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1alpha,2beta,4abeta,8aalpha)]- (9CI)
| Molecular Formula | C23H33NO2 |
|---|---|
| Molecular Weight | 355.25 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.25113 |
| Heavy Atoms | 26 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 102580-79-0 |
|---|---|
| SMILES | CCNC1=CC(=O)C(=CC1=O)CC2(C(CCC3(C2CCC=C3C)C)C)C |
| InChIKey | QJHJRWBTIGJOAV-UHFFFAOYSA-N |
Product Overview
2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione (CAS 102580-79-0), with molecular formula C23H33NO2 and molecular weight 355.25 g/mol. IUPAC: 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-5-(ethylamino)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
The XLogP value of 5.4 indicates that 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione is 102580-79-0.
What is the molecular formula of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione is C23H33NO2.
What is the molecular weight of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione is 355.25 g/mol.
Where can I buy 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethylamino)-5-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.