AE-848/07783050
TL;DR: AE-848/07783050 (CAS 201273-81-6) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: AE-848/07783050, ethyl {[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate, ethyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-thien-2-yl-1,4-dihydropyridin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate, ethyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 4.37908 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1021.6521 |
Chemical Identifiers
| CAS Number | 201273-81-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N |
Product Overview
AE-848/07783050 (CAS 201273-81-6), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: ethyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of AE-848/07783050
Property Insights of AE-848/07783050
The XLogP value of 4.37908 indicates that AE-848/07783050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/07783050. Following Lipinski's Rule of Five, AE-848/07783050 has 2 hydrogen bond donor(s) and 7 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-848/07783050?
The CAS number of AE-848/07783050 is 201273-81-6.
What is the molecular formula of AE-848/07783050?
The molecular formula of AE-848/07783050 is C22H21N3O3S2.
What is the molecular weight of AE-848/07783050?
The molecular weight of AE-848/07783050 is 439.10 g/mol.
Where can I buy AE-848/07783050?
You can request a quote for AE-848/07783050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/07783050?
Yes, KEHONG BIO provides custom synthesis services for AE-848/07783050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.