1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate
TL;DR: 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate (CAS 444076-41-9) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 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 acetate
Also Known As: BAS 04396326, 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate, A3079/0130242, 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl acetate, 1-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propyl acetate
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 2.3802 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 541.9081 |
Chemical Identifiers
| CAS Number | 444076-41-9 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)OC(=O)C |
Product Overview
1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate (CAS 444076-41-9), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl acetate.
Chemical Property Profile of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate
Property Insights of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate
The XLogP value of 2.3802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate. Following Lipinski's Rule of Five, 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate has 0 hydrogen bond donor(s) and 6 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 acetate?
The CAS number of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate is 444076-41-9.
What is the molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate?
The molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate is C13H15NO6.
What is the molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate?
The molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate is 281.09 g/mol.
Where can I buy 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate?
You can request a quote for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.