AE-641/14714201
TL;DR: AE-641/14714201 (CAS 358667-58-0) is a chemical compound with molecular formula C22H18BrNO6 and molecular weight 471.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: AE-641/14714201, methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate, methyl 4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H18BrNO6 |
|---|---|
| Molecular Weight | 471.03 g/mol |
| LogP | 4.0636 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.03174 |
| Heavy Atoms | 30 |
| Complexity | 1120.606 |
Chemical Identifiers
| CAS Number | 358667-58-0 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)N1C4=CC(=CC=C4)OC)C(=O)OC |
Product Overview
AE-641/14714201 (CAS 358667-58-0), with molecular formula C22H18BrNO6 and molecular weight 471.03 g/mol. IUPAC: methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of AE-641/14714201
Property Insights of AE-641/14714201
The XLogP value of 4.0636 indicates that AE-641/14714201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14714201. Following Lipinski's Rule of Five, AE-641/14714201 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-641/14714201?
The CAS number of AE-641/14714201 is 358667-58-0.
What is the molecular formula of AE-641/14714201?
The molecular formula of AE-641/14714201 is C22H18BrNO6.
What is the molecular weight of AE-641/14714201?
The molecular weight of AE-641/14714201 is 471.03 g/mol.
Where can I buy AE-641/14714201?
You can request a quote for AE-641/14714201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14714201?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14714201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.