7-Nitroisochroman
TL;DR: 7-Nitroisochroman (CAS 444588-03-8) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3,4-dihydro-1H-isochromene
Also Known As: 7-Nitroisochroman, 7-nitroisochromane, 7-nitro-3,4-dihydro-1H-isochromene, 7-nitro-3,4-dihydro-1H-2-benzopyran, 3,4-dihydro-7-nitro-1H-2-benzopyran
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.6675 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 348.7131 |
Chemical Identifiers
| CAS Number | 444588-03-8 |
|---|---|
| SMILES | C1COCC2=C1C=CC(=C2)[N+](=O)[O-] |
Product Overview
7-Nitroisochroman (CAS 444588-03-8), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 7-nitro-3,4-dihydro-1H-isochromene.
Chemical Property Profile of 7-Nitroisochroman
Property Insights of 7-Nitroisochroman
The XLogP value of 1.6675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitroisochroman. With a topological polar surface area (TPSA) of 52.37 Ų, 7-Nitroisochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Nitroisochroman 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-Nitroisochroman?
The CAS number of 7-Nitroisochroman is 444588-03-8.
What is the molecular formula of 7-Nitroisochroman?
The molecular formula of 7-Nitroisochroman is C9H9NO3.
What is the molecular weight of 7-Nitroisochroman?
The molecular weight of 7-Nitroisochroman is 179.06 g/mol.
Where can I buy 7-Nitroisochroman?
You can request a quote for 7-Nitroisochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitroisochroman?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitroisochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.