7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
TL;DR: 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (CAS 55149-81-0) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
Also Known As: 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde, 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde, 7-NITRO-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBALDEHYDE
| Molecular Formula | C9H7NO5 |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 1.1785 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.03242 |
| Heavy Atoms | 15 |
| Complexity | 428.75604 |
Chemical Identifiers
| CAS Number | 55149-81-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C=O |
Product Overview
7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (CAS 55149-81-0), with molecular formula C9H7NO5 and molecular weight 209.03 g/mol. IUPAC: 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde.
Chemical Property Profile of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Property Insights of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
The XLogP value of 1.1785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde. Following Lipinski's Rule of Five, 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde 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 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The CAS number of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is 55149-81-0.
What is the molecular formula of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The molecular formula of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is C9H7NO5.
What is the molecular weight of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The molecular weight of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is 209.03 g/mol.
Where can I buy 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
You can request a quote for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.