6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde
TL;DR: 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde (CAS 30034-57-2) is a chemical compound with molecular formula C8H4BrNO5 and molecular weight 272.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde
Also Known As: 6-bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde, 1,3-Benzodioxole-5-carboxaldehyde,6-bromo-4-nitro-, 6-BROMO-4-NITRO-2H-1,3-BENZODIOXOLE-5-CARBALDEHYDE
| Molecular Formula | C8H4BrNO5 |
|---|---|
| Molecular Weight | 272.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.92728 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 30034-57-2 |
|---|---|
| SMILES | C1OC2=CC(=C(C(=C2O1)[N+](=O)[O-])C=O)Br |
| InChIKey | HMVOCAGCOLBQJY-UHFFFAOYSA-N |
Product Overview
6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde (CAS 30034-57-2), with molecular formula C8H4BrNO5 and molecular weight 272.93 g/mol. IUPAC: 6-bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde.
Chemical Property Profile of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde
Property Insights of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde. Following Lipinski's Rule of Five, 6-Bromo-4-nitro-1,3-benzodioxole-5-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 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde?
The CAS number of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde is 30034-57-2.
What is the molecular formula of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde?
The molecular formula of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde is C8H4BrNO5.
What is the molecular weight of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde?
The molecular weight of 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde is 272.93 g/mol.
Where can I buy 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde?
You can request a quote for 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.