4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride
TL;DR: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride (CAS 69844-18-4) is a chemical compound with molecular formula C20H25ClN2O3 and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(dimethylamino)propoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
Also Known As: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride, 2-{4-[3-(Dimethylamino)propoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1), RefChem:286132
| Molecular Formula | C20H25ClN2O3 |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 2.7504 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.15536 |
| Heavy Atoms | 26 |
| Complexity | 686.2714 |
Chemical Identifiers
| CAS Number | 69844-18-4 |
|---|---|
| SMILES | CN(C)CCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.Cl |
Product Overview
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride (CAS 69844-18-4), with molecular formula C20H25ClN2O3 and molecular weight 376.16 g/mol. IUPAC: 4-[4-[3-(dimethylamino)propoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride.
Chemical Property Profile of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride
Property Insights of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride
The XLogP value of 2.7504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 49.85 Ų, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride has 0 hydrogen bond donor(s) and 4 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 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride?
The CAS number of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride is 69844-18-4.
What is the molecular formula of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride?
The molecular formula of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride is C20H25ClN2O3.
What is the molecular weight of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride?
The molecular weight of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride is 376.16 g/mol.
Where can I buy 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride?
You can request a quote for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(3-(dimethylamino)propoxy)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.