1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate
TL;DR: 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate (CAS 443640-11-7) is a chemical compound with molecular formula C11H12N2O7 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl nitrate
Also Known As: 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate, 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl nitrate, 1-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propyl nitrate
| Molecular Formula | C11H12N2O7 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 2.0254 |
| Topological Polar Surface Area | 113.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.06445 |
| Heavy Atoms | 20 |
| Complexity | 545.81836 |
Chemical Identifiers
| CAS Number | 443640-11-7 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)O[N+](=O)[O-] |
Product Overview
1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate (CAS 443640-11-7), with molecular formula C11H12N2O7 and molecular weight 284.06 g/mol. IUPAC: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl nitrate.
Chemical Property Profile of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate
Property Insights of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate
The XLogP value of 2.0254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate. The TPSA of 113.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate. Following Lipinski's Rule of Five, 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate has 0 hydrogen bond donor(s) and 7 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-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate?
The CAS number of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate is 443640-11-7.
What is the molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate?
The molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate is C11H12N2O7.
What is the molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate?
The molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate is 284.06 g/mol.
Where can I buy 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate?
You can request a quote for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.