AE-477/13519206
TL;DR: AE-477/13519206 (CAS 67133-33-9) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-b]pyrrole-3-carboxylate
Also Known As: AE-477/13519206, Methyl 2-(4-(hydroxy(oxido)amino)phenyl)-2,3,3a,4-tetrahydrochromeno(4,3-b)pyrrole-3-carboxylate, methyl 2-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-b]p, methyl 2-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-b]pyrrole-3-carboxylate, Methyl 2-(4-nitrophenyl)-2,3,3a,4-tetrahydro[1]benzopyrano[4,3-b]pyrrole-3-carboxylate
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 67133-33-9 |
|---|---|
| SMILES | COC(=O)C1C2COC3=CC=CC=C3C2=NC1C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | VTGMFJUALAFNIB-UHFFFAOYSA-N |
Product Overview
AE-477/13519206 (CAS 67133-33-9), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: methyl 2-(4-nitrophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-b]pyrrole-3-carboxylate.
Chemical Property Profile of AE-477/13519206
Property Insights of AE-477/13519206
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-477/13519206. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-477/13519206. Following Lipinski's Rule of Five, AE-477/13519206 has 0 hydrogen bond donor(s) and 6 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 AE-477/13519206?
The CAS number of AE-477/13519206 is 67133-33-9.
What is the molecular formula of AE-477/13519206?
The molecular formula of AE-477/13519206 is C19H16N2O5.
What is the molecular weight of AE-477/13519206?
The molecular weight of AE-477/13519206 is 352.11 g/mol.
Where can I buy AE-477/13519206?
You can request a quote for AE-477/13519206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-477/13519206?
Yes, KEHONG BIO provides custom synthesis services for AE-477/13519206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.