AE-848/32950013
TL;DR: AE-848/32950013 (CAS 313531-11-2) is a chemical compound with molecular formula C26H17Br2N3OS and molecular weight 576.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
Also Known As: AE-848/32950013, A0728/0033963, N-(4-bromophenyl)-2-[4-(4-bromophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetamide, N-(4-bromophenyl)-2-((4-(4-bromophenyl)-3-cyano-6-phenylpyridin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-{[4-(4-bromophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}acetamide
| Molecular Formula | C26H17Br2N3OS |
|---|---|
| Molecular Weight | 576.95 g/mol |
| LogP | 7.54308 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.9459 |
| Heavy Atoms | 33 |
| Complexity | 1318.9958 |
Chemical Identifiers
| CAS Number | 313531-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Br)C#N)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
AE-848/32950013 (CAS 313531-11-2), with molecular formula C26H17Br2N3OS and molecular weight 576.95 g/mol. IUPAC: N-(4-bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of AE-848/32950013
Property Insights of AE-848/32950013
The XLogP value of 7.54308 indicates that AE-848/32950013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/32950013. Following Lipinski's Rule of Five, AE-848/32950013 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/32950013?
The CAS number of AE-848/32950013 is 313531-11-2.
What is the molecular formula of AE-848/32950013?
The molecular formula of AE-848/32950013 is C26H17Br2N3OS.
What is the molecular weight of AE-848/32950013?
The molecular weight of AE-848/32950013 is 576.95 g/mol.
Where can I buy AE-848/32950013?
You can request a quote for AE-848/32950013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/32950013?
Yes, KEHONG BIO provides custom synthesis services for AE-848/32950013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.