AE-848/11420619
TL;DR: AE-848/11420619 (CAS 312940-87-7) is a chemical compound with molecular formula C22H18BrNO5S and molecular weight 487.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
Also Known As: AE-848/11420619, 4-(4-bromophenyl)-2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid, (E)-4-(4-bromophenyl)-2-(3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylic acid, 4-(4-bromophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid, 4-(4-bromophenyl)-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylic acid
| Molecular Formula | C22H18BrNO5S |
|---|---|
| Molecular Weight | 487.01 g/mol |
| LogP | 5.5449 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.0089 |
| Heavy Atoms | 30 |
| Complexity | 1105.2157 |
Chemical Identifiers
| CAS Number | 312940-87-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)OC |
Product Overview
AE-848/11420619 (CAS 312940-87-7), with molecular formula C22H18BrNO5S and molecular weight 487.01 g/mol. IUPAC: 4-(4-bromophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid.
Chemical Property Profile of AE-848/11420619
Property Insights of AE-848/11420619
The XLogP value of 5.5449 indicates that AE-848/11420619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11420619. Following Lipinski's Rule of Five, AE-848/11420619 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/11420619?
The CAS number of AE-848/11420619 is 312940-87-7.
What is the molecular formula of AE-848/11420619?
The molecular formula of AE-848/11420619 is C22H18BrNO5S.
What is the molecular weight of AE-848/11420619?
The molecular weight of AE-848/11420619 is 487.01 g/mol.
Where can I buy AE-848/11420619?
You can request a quote for AE-848/11420619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11420619?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11420619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.