![8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one structure](/static/products/209/20986-86-1.png)
8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
TL;DR: 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one (CAS 20986-86-1) is a chemical compound with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10a,12a-dimethyl-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one
Also Known As: 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
| Molecular Formula | C21H30N2O2 |
|---|---|
| Molecular Weight | 342.23 g/mol |
| LogP | 4.0617 |
| Topological Polar Surface Area | 61.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.23074 |
| Heavy Atoms | 25 |
| Complexity | 692.00964 |
Chemical Identifiers
| CAS Number | 20986-86-1 |
|---|---|
| SMILES | C/C(=N\O)/C1=CCC2C1(CCC3C2CCC4=CC(=O)NCCC34C)C |
Product Overview
8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one (CAS 20986-86-1), with molecular formula C21H30N2O2 and molecular weight 342.23 g/mol. IUPAC: 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10a,12a-dimethyl-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-one.
Chemical Property Profile of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
Property Insights of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
The XLogP value of 4.0617 indicates that 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one. Following Lipinski's Rule of Five, 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one has 2 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 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one?
The CAS number of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one is 20986-86-1.
What is the molecular formula of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one?
The molecular formula of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one is C21H30N2O2.
What is the molecular weight of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one?
The molecular weight of 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one is 342.23 g/mol.
Where can I buy 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one?
You can request a quote for 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-[(1E)-N-Hydroxyethanimidoyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,10,10a,10b,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.