3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione
TL;DR: 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione (CAS 159109-08-7) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
Also Known As: TimTec1_004540, 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione, 3-amino-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione, 4-amino-3-(3,4-dimethoxyphenyl)azoline-2,5-dione, A1454/0064192
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 159109-08-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)NC2=O)N)OC |
| InChIKey | TWTSVOCADGGDHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione (CAS 159109-08-7), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-amino-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione.
Chemical Property Profile of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione
Property Insights of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione. Following Lipinski's Rule of Five, 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione has 2 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 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione?
The CAS number of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione is 159109-08-7.
What is the molecular formula of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione?
The molecular formula of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione is C12H12N2O4.
What is the molecular weight of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione?
The molecular weight of 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione is 248.08 g/mol.
Where can I buy 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione?
You can request a quote for 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.