![1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde structure](/static/products/5341/53413-69-7.webp)
1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde
TL;DR: 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde (CAS 53413-69-7) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde
Also Known As: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehy, 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde, 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 53413-69-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=O)[N+](=O)[O-] |
| InChIKey | AZUOWKZMLQXMNU-UHFFFAOYSA-N |
Product Overview
1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde (CAS 53413-69-7), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde
Property Insights of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde. Following Lipinski's Rule of Five, 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-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 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde is 53413-69-7.
What is the molecular formula of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde is C13H10N2O5.
What is the molecular weight of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde is 274.06 g/mol.
Where can I buy 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.