6-硝基-1,3-苯并二氧戊环-5-甲醛
TL;DR: 6-硝基-1,3-苯并二氧戊环-5-甲醛 (CAS 712-97-0) is a chemical compound with molecular formula C8H5NO5 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-硝基-1,3-苯并二氧戊环-5-甲醛
6-nitro-1,3-benzodioxole-5-carbaldehyde
Also Known As: 6-Nitropiperonal, Piperonal, 6-nitro-, 6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde, 6-Nitro-1,3-benzodioxole-5-carbaldehyde, 6-nitro-piperonal
| Molecular Formula | C8H5NO5 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01677 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 712-97-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-] |
| InChIKey | NRZWECORTTWSEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-硝基-1,3-苯并二氧戊环-5-甲醛 (CAS 712-97-0), with molecular formula C8H5NO5 and molecular weight 195.02 g/mol. IUPAC: 6-nitro-1,3-benzodioxole-5-carbaldehyde.
Chemical Property Profile of 6-硝基-1,3-苯并二氧戊环-5-甲醛
Property Insights of 6-硝基-1,3-苯并二氧戊环-5-甲醛
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-硝基-1,3-苯并二氧戊环-5-甲醛. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-硝基-1,3-苯并二氧戊环-5-甲醛. Following Lipinski's Rule of Five, 6-硝基-1,3-苯并二氧戊环-5-甲醛 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 6-硝基-1,3-苯并二氧戊环-5-甲醛?
The CAS number of 6-硝基-1,3-苯并二氧戊环-5-甲醛 is 712-97-0.
What is the molecular formula of 6-硝基-1,3-苯并二氧戊环-5-甲醛?
The molecular formula of 6-硝基-1,3-苯并二氧戊环-5-甲醛 is C8H5NO5.
What is the molecular weight of 6-硝基-1,3-苯并二氧戊环-5-甲醛?
The molecular weight of 6-硝基-1,3-苯并二氧戊环-5-甲醛 is 195.02 g/mol.
Where can I buy 6-硝基-1,3-苯并二氧戊环-5-甲醛?
You can request a quote for 6-硝基-1,3-苯并二氧戊环-5-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-硝基-1,3-苯并二氧戊环-5-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 6-硝基-1,3-苯并二氧戊环-5-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.