Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- (CAS 140381-70-0) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(3-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-, 2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinoline, 1,2,3,4-Tetrahydro-2-(3-nitro-2-pyridinyl)isoquinoline, 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-nitropyridine
| Molecular Formula | C14H13N3O2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.5525 |
| Topological Polar Surface Area | 59.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.10077 |
| Heavy Atoms | 19 |
| Complexity | 627.5931 |
Chemical Identifiers
| CAS Number | 140381-70-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=CC=N3)[N+](=O)[O-] |
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- (CAS 140381-70-0), with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol. IUPAC: 2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-
The XLogP value of 2.5525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-. With a topological polar surface area (TPSA) of 59.27 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- 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, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- is 140381-70-0.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- is C14H13N3O2.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- is 255.10 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.