![12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium structure](/static/products/7241/7241-96-5.webp)
12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium
TL;DR: 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium (CAS 7241-96-5) is a chemical compound with molecular formula C19H23N2O2+ and molecular weight 311.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethylidene-10-hydroxy-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,10.02,7.014,17]octadeca-2,4,6-trien-9-one
Also Known As: 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium
| Molecular Formula | C19H23N2O2+ |
|---|---|
| Molecular Weight | 311.18 g/mol |
| LogP | 1.8063 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.17596 |
| Heavy Atoms | 23 |
| Complexity | 772.38806 |
Chemical Identifiers
| CAS Number | 7241-96-5 |
|---|---|
| SMILES | CC=C1C[N+]2(CCC34C2CC1C3(C(=O)NC5=CC=CC=C45)O)C |
Product Overview
12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium (CAS 7241-96-5), with molecular formula C19H23N2O2+ and molecular weight 311.18 g/mol. IUPAC: 12-ethylidene-10-hydroxy-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,10.02,7.014,17]octadeca-2,4,6-trien-9-one.
Chemical Property Profile of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium
Property Insights of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium
The XLogP value of 1.8063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium. With a topological polar surface area (TPSA) of 49.33 Ų, 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium has 2 hydrogen bond donor(s) and 2 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 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium?
The CAS number of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium is 7241-96-5.
What is the molecular formula of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium?
The molecular formula of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium is C19H23N2O2+.
What is the molecular weight of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium?
The molecular weight of 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium is 311.18 g/mol.
Where can I buy 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium?
You can request a quote for 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 12-Ethylidene-5a-hydroxy-3-methyl-6-oxo-2,3,3a,4,5,5a,6,7-octahydro-1H-3,5-ethanopyrrolo[3',2':2,3]cyclopenta[1,2-c]quinolin-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.