2,3-二氢-6-硝基-1,4-苯并二噁烷
TL;DR: 2,3-二氢-6-硝基-1,4-苯并二噁烷 (CAS 16498-20-7) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-6-硝基-1,4-苯并二噁烷
6-nitro-2,3-dihydro-1,4-benzodioxine
Also Known As: 3,4-Ethylenedioxynitrobenzene, 6-Nitro-2,3-dihydro-1,4-benzodioxine, 6-Nitro-2,3-dihydrobenzo[b][1,4]dioxine, 6-Nitro-1,4-benzodioxane, 2,3-Dihydro-6-nitro-1,4-benzodioxin
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 16498-20-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | MQSGCURTKWHBRX-UHFFFAOYSA-N |
Product Overview
2,3-二氢-6-硝基-1,4-苯并二噁烷 (CAS 16498-20-7), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 2,3-二氢-6-硝基-1,4-苯并二噁烷
Property Insights of 2,3-二氢-6-硝基-1,4-苯并二噁烷
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-6-硝基-1,4-苯并二噁烷. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-二氢-6-硝基-1,4-苯并二噁烷. Following Lipinski's Rule of Five, 2,3-二氢-6-硝基-1,4-苯并二噁烷 has 0 hydrogen bond donor(s) and 4 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 2,3-二氢-6-硝基-1,4-苯并二噁烷?
The CAS number of 2,3-二氢-6-硝基-1,4-苯并二噁烷 is 16498-20-7.
What is the molecular formula of 2,3-二氢-6-硝基-1,4-苯并二噁烷?
The molecular formula of 2,3-二氢-6-硝基-1,4-苯并二噁烷 is C8H7NO4.
What is the molecular weight of 2,3-二氢-6-硝基-1,4-苯并二噁烷?
The molecular weight of 2,3-二氢-6-硝基-1,4-苯并二噁烷 is 181.04 g/mol.
Where can I buy 2,3-二氢-6-硝基-1,4-苯并二噁烷?
You can request a quote for 2,3-二氢-6-硝基-1,4-苯并二噁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-6-硝基-1,4-苯并二噁烷?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-6-硝基-1,4-苯并二噁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.