1,4-Dimethyl-5-nitroisoquinoline
TL;DR: 1,4-Dimethyl-5-nitroisoquinoline (CAS 59261-38-0) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-5-nitroisoquinoline
Also Known As: 1,4-dimethyl-5-nitroisoquinoline, 1,4-dimethyl-5-nitro-isoquinoline, Isoquinoline, 1,4-dimethyl-5-nitro-, ISOQUINOLINE,1,4-DIMETHYL-5-NITRO-
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 59261-38-0 |
|---|---|
| SMILES | CC1=CN=C(C2=C1C(=CC=C2)[N+](=O)[O-])C |
| InChIKey | WTACEYGASPOAEO-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl-5-nitroisoquinoline (CAS 59261-38-0), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 1,4-dimethyl-5-nitroisoquinoline.
Chemical Property Profile of 1,4-Dimethyl-5-nitroisoquinoline
Property Insights of 1,4-Dimethyl-5-nitroisoquinoline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-5-nitroisoquinoline. With a topological polar surface area (TPSA) of 58.7 Ų, 1,4-Dimethyl-5-nitroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-5-nitroisoquinoline 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 1,4-Dimethyl-5-nitroisoquinoline?
The CAS number of 1,4-Dimethyl-5-nitroisoquinoline is 59261-38-0.
What is the molecular formula of 1,4-Dimethyl-5-nitroisoquinoline?
The molecular formula of 1,4-Dimethyl-5-nitroisoquinoline is C11H10N2O2.
What is the molecular weight of 1,4-Dimethyl-5-nitroisoquinoline?
The molecular weight of 1,4-Dimethyl-5-nitroisoquinoline is 202.07 g/mol.
Where can I buy 1,4-Dimethyl-5-nitroisoquinoline?
You can request a quote for 1,4-Dimethyl-5-nitroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-5-nitroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-5-nitroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.