AE-848/33206054
TL;DR: AE-848/33206054 (CAS 208254-38-0) is a chemical compound with molecular formula C21H12Br2N4OS and molecular weight 525.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-2-(4-bromobenzoyl)-4-(4-bromophenyl)thieno[2,3-b]pyridine-5-carbonitrile
Also Known As: AE-848/33206054, 3,6-diamino-2-(4-bromobenzoyl)-4-(4-bromophenyl)thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-4-(4-bromophenyl)-2-[(4-bromophenyl)carbonyl]thieno[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C21H12Br2N4OS |
|---|---|
| Molecular Weight | 525.91 g/mol |
| LogP | 5.75538 |
| Topological Polar Surface Area | 105.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.90985 |
| Heavy Atoms | 29 |
| Complexity | 1306.2566 |
Chemical Identifiers
| CAS Number | 208254-38-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)N)C#N)Br |
Product Overview
AE-848/33206054 (CAS 208254-38-0), with molecular formula C21H12Br2N4OS and molecular weight 525.91 g/mol. IUPAC: 3,6-diamino-2-(4-bromobenzoyl)-4-(4-bromophenyl)thieno[2,3-b]pyridine-5-carbonitrile.
Chemical Property Profile of AE-848/33206054
Property Insights of AE-848/33206054
The XLogP value of 5.75538 indicates that AE-848/33206054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33206054. Following Lipinski's Rule of Five, AE-848/33206054 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/33206054?
The CAS number of AE-848/33206054 is 208254-38-0.
What is the molecular formula of AE-848/33206054?
The molecular formula of AE-848/33206054 is C21H12Br2N4OS.
What is the molecular weight of AE-848/33206054?
The molecular weight of AE-848/33206054 is 525.91 g/mol.
Where can I buy AE-848/33206054?
You can request a quote for AE-848/33206054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33206054?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33206054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.