Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-
TL;DR: Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- (CAS 3580-56-1) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole
Also Known As: 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole, 8-methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole, 8-Methoxy-6-nitrophenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole, 8-Methoxy-3,4-methylendioxy-10-nitrophenanthren
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 3580-56-1 |
|---|---|
| SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C=CC4=C3OCO4 |
| InChIKey | SGXKVKPAKCDBQQ-UHFFFAOYSA-N |
Product Overview
Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- (CAS 3580-56-1), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole.
Chemical Property Profile of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-
Property Insights of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-
The XLogP value of 4.0 indicates that Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-. Following Lipinski's Rule of Five, Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- has 0 hydrogen bond donor(s) and 5 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 Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-?
The CAS number of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- is 3580-56-1.
What is the molecular formula of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-?
The molecular formula of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- is C16H11NO5.
What is the molecular weight of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-?
The molecular weight of Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- is 297.06 g/mol.
Where can I buy Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-?
You can request a quote for Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenanthro(3,4-d)-1,3-diaxole, 8-methoxy-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.