1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde
TL;DR: 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde (CAS 30186-43-7) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethyl-3-nitrophenyl)pyrrole-2-carbaldehyde
Also Known As: 1-(2,6-dimethyl-3-nitrophenyl)pyrrole-2-carbaldehyde, 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde, AN-970/40920768
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.81484 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 629.16174 |
Chemical Identifiers
| CAS Number | 30186-43-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C=CC=C2C=O |
Product Overview
1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde (CAS 30186-43-7), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 1-(2,6-dimethyl-3-nitrophenyl)pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde
Property Insights of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde
The XLogP value of 2.81484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde. Following Lipinski's Rule of Five, 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde is 30186-43-7.
What is the molecular formula of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde is C13H12N2O3.
What is the molecular weight of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde is 244.08 g/mol.
Where can I buy 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-{3-nitro-2,6-dimethylphenyl}-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-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-nitro-2,6-dimethylphenyl}-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.