3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl
TL;DR: 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl (CAS 5166-59-6) is a chemical compound with molecular formula C17H21ClN2O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-morpholin-4-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
Also Known As: 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-, monohydrochloride, 2-[4-(morpholin-4-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione hydrochloride(1:1), 2-[4-(Morpholin-4-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1), 4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-,monohydrochloride
| Molecular Formula | C17H21ClN2O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 0.5509 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.12408 |
| Heavy Atoms | 23 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 5166-59-6 |
|---|---|
| SMILES | C1COCCN1CC#CCN2C(=O)C3C4CC(C3C2=O)C=C4.Cl |
| InChIKey | PLXWGCXAVSGEDQ-UHFFFAOYSA-N |
Product Overview
3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl (CAS 5166-59-6), with molecular formula C17H21ClN2O3 and molecular weight 336.12 g/mol. IUPAC: 4-(4-morpholin-4-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride.
Chemical Property Profile of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl
Property Insights of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl
The XLogP value of 0.5509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl. With a topological polar surface area (TPSA) of 49.9 Ų, 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl has 1 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 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl?
The CAS number of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl is 5166-59-6.
What is the molecular formula of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl?
The molecular formula of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl is C17H21ClN2O3.
What is the molecular weight of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl?
The molecular weight of 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl is 336.12 g/mol.
Where can I buy 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl?
You can request a quote for 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.