Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-
TL;DR: Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- (CAS 852411-46-2) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-5-pyrrolidin-1-ylisoquinoline
Also Known As: Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-, 8-nitro-5-pyrrolidin-1-ylisoquinoline, 8-nitro-5-pyrrolidino-isoquinoline, 8-nitro-5-pyrrolidin-1-yl-isoquinoline, 8-nitro-5-(pyrrolidin-1-yl)isoquinoline
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 2.7432 |
| Topological Polar Surface Area | 59.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 606.2079 |
Chemical Identifiers
| CAS Number | 852411-46-2 |
|---|---|
| SMILES | C1CCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-] |
Product Overview
Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- (CAS 852411-46-2), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 8-nitro-5-pyrrolidin-1-ylisoquinoline.
Chemical Property Profile of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-
Property Insights of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-
The XLogP value of 2.7432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 59.27 Ų, Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- 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 Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-?
The CAS number of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- is 852411-46-2.
What is the molecular formula of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-?
The molecular formula of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- is C13H13N3O2.
What is the molecular weight of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-?
The molecular weight of Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- is 243.10 g/mol.
Where can I buy Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-?
You can request a quote for Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 8-nitro-5-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.