1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate
TL;DR: 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate (CAS 159873-75-3) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07 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)ethyl acetate
Also Known As: 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate, A3079/0130244, 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl acetate, 1,4-Benzodioxin-6-methanol, 2,3-dihydro-I+/--methyl-7-nitro-, 6-acetate
| Molecular Formula | C12H13NO6 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.9901 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07428 |
| Heavy Atoms | 19 |
| Complexity | 527.19604 |
Chemical Identifiers
| CAS Number | 159873-75-3 |
|---|---|
| SMILES | CC(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)ethyl acetate (CAS 159873-75-3), with molecular formula C12H13NO6 and molecular weight 267.07 g/mol. IUPAC: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl acetate.
Chemical Property Profile of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate
Property Insights of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate
The XLogP value of 1.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl 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)ethyl acetate. Following Lipinski's Rule of Five, 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl 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)ethyl acetate?
The CAS number of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate is 159873-75-3.
What is the molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate?
The molecular formula of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate is C12H13NO6.
What is the molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate?
The molecular weight of 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate is 267.07 g/mol.
Where can I buy 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate?
You can request a quote for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl 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)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.