RefChem:286124
TL;DR: RefChem:286124 (CAS 51661-19-9) is a chemical compound with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-piperidin-1-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-(1-piperidinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl, 2-[4-(piperidin-1-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione hydrochloride(1:1), 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-, monohydrochloride, 2-[4-(Piperidin-1-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1), RefChem:286124
| Molecular Formula | C18H23ClN2O2 |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 1.7046 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.1448 |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 51661-19-9 |
|---|---|
| SMILES | C1CCN(CC1)CC#CCN2C(=O)C3C4CC(C3C2=O)C=C4.Cl |
| InChIKey | RFSQNANKQXTFHG-UHFFFAOYSA-N |
Product Overview
RefChem:286124 (CAS 51661-19-9), with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol. IUPAC: 4-(4-piperidin-1-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride.
Chemical Property Profile of RefChem:286124
Property Insights of RefChem:286124
The XLogP value of 1.7046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:286124. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:286124 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:286124 has 1 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 RefChem:286124?
The CAS number of RefChem:286124 is 51661-19-9.
What is the molecular formula of RefChem:286124?
The molecular formula of RefChem:286124 is C18H23ClN2O2.
What is the molecular weight of RefChem:286124?
The molecular weight of RefChem:286124 is 334.14 g/mol.
Where can I buy RefChem:286124?
You can request a quote for RefChem:286124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:286124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:286124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.