7-Nitro-3,4-dihydroisoquinoline
TL;DR: 7-Nitro-3,4-dihydroisoquinoline (CAS 62541-59-7) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3,4-dihydroisoquinoline
Also Known As: 7-nitro-3,4-dihydroisoquinoline, ISODRIN, Isoquinoline, 3,4-dihydro-7-nitro-, 3,4-dihydro-7-nitroIsoquinoline, J1.032.763F
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.5698 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 385.20114 |
Chemical Identifiers
| CAS Number | 62541-59-7 |
|---|---|
| SMILES | C1CN=CC2=C1C=CC(=C2)[N+](=O)[O-] |
Product Overview
7-Nitro-3,4-dihydroisoquinoline (CAS 62541-59-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 7-nitro-3,4-dihydroisoquinoline.
Chemical Property Profile of 7-Nitro-3,4-dihydroisoquinoline
Property Insights of 7-Nitro-3,4-dihydroisoquinoline
The XLogP value of 1.5698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-3,4-dihydroisoquinoline. With a topological polar surface area (TPSA) of 55.5 Ų, 7-Nitro-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Nitro-3,4-dihydroisoquinoline has 0 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 7-Nitro-3,4-dihydroisoquinoline?
The CAS number of 7-Nitro-3,4-dihydroisoquinoline is 62541-59-7.
What is the molecular formula of 7-Nitro-3,4-dihydroisoquinoline?
The molecular formula of 7-Nitro-3,4-dihydroisoquinoline is C9H8N2O2.
What is the molecular weight of 7-Nitro-3,4-dihydroisoquinoline?
The molecular weight of 7-Nitro-3,4-dihydroisoquinoline is 176.06 g/mol.
Where can I buy 7-Nitro-3,4-dihydroisoquinoline?
You can request a quote for 7-Nitro-3,4-dihydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-3,4-dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-3,4-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.