3-吡咯烷-1-基异喹啉-1-胺
TL;DR: 3-吡咯烷-1-基异喹啉-1-胺 (CAS 58814-57-6) is a chemical compound with molecular formula C13H15N3 and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-吡咯烷-1-基异喹啉-1-胺
3-pyrrolidin-1-ylisoquinolin-1-amine
Also Known As: 3-pyrrolidin-1-ylisoquinolin-1-amine, 1-Isoquinolinamine, 3-(1-pyrrolidinyl)-, 3-(pyrrolidin-1-yl)isoquinolin-1-amine
| Molecular Formula | C13H15N3 |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.1266 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 58814-57-6 |
|---|---|
| SMILES | C1CCN(C1)C2=CC3=CC=CC=C3C(=N2)N |
| InChIKey | XAOOYSYTTGMKJX-UHFFFAOYSA-N |
Product Overview
3-吡咯烷-1-基异喹啉-1-胺 (CAS 58814-57-6), with molecular formula C13H15N3 and molecular weight 213.13 g/mol. IUPAC: 3-pyrrolidin-1-ylisoquinolin-1-amine.
Chemical Property Profile of 3-吡咯烷-1-基异喹啉-1-胺
Property Insights of 3-吡咯烷-1-基异喹啉-1-胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-吡咯烷-1-基异喹啉-1-胺. With a topological polar surface area (TPSA) of 42.2 Ų, 3-吡咯烷-1-基异喹啉-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-吡咯烷-1-基异喹啉-1-胺 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 3-吡咯烷-1-基异喹啉-1-胺?
The CAS number of 3-吡咯烷-1-基异喹啉-1-胺 is 58814-57-6.
What is the molecular formula of 3-吡咯烷-1-基异喹啉-1-胺?
The molecular formula of 3-吡咯烷-1-基异喹啉-1-胺 is C13H15N3.
What is the molecular weight of 3-吡咯烷-1-基异喹啉-1-胺?
The molecular weight of 3-吡咯烷-1-基异喹啉-1-胺 is 213.13 g/mol.
Where can I buy 3-吡咯烷-1-基异喹啉-1-胺?
You can request a quote for 3-吡咯烷-1-基异喹啉-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-吡咯烷-1-基异喹啉-1-胺?
Yes, KEHONG BIO provides custom synthesis services for 3-吡咯烷-1-基异喹啉-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.