AE-848/11104083
TL;DR: AE-848/11104083 (CAS 204775-52-0) is a chemical compound with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-5,8-dihydro-2,7-naphthyridin-3-yl)sulfanyl]acetate
Also Known As: AE-848/11104083, ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-5,8-dihydro-2,7-naphthyridin-3-yl)sulfanyl]acetate, 2-[(4-cyano-6,6,7-trimethyl-1-morpholino-5,8-dihydro-2,7-naphthyridin-3-yl)thio]acetic acid ethyl ester, 2-[[4-cyano-6,6,7-trimethyl-1-(4-morpholinyl)-5,8-dihydro-2,7-naphthyridin-3-yl]thio]acetic acid ethyl ester, ethyl [(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-5,6,7,8-tetrahydro[2,7]naphthyridin-3-yl)sulfanyl]acetate
| Molecular Formula | C20H28N4O3S |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1882 |
| Heavy Atoms | 28 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 204775-52-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C2=C(CN(C(C2)(C)C)C)C(=N1)N3CCOCC3)C#N |
| InChIKey | AWBLYNDNLZFGAL-UHFFFAOYSA-N |
Product Overview
AE-848/11104083 (CAS 204775-52-0), with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol. IUPAC: ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-5,8-dihydro-2,7-naphthyridin-3-yl)sulfanyl]acetate.
Chemical Property Profile of AE-848/11104083
Property Insights of AE-848/11104083
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/11104083. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11104083. Following Lipinski's Rule of Five, AE-848/11104083 has 0 hydrogen bond donor(s) and 8 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-848/11104083?
The CAS number of AE-848/11104083 is 204775-52-0.
What is the molecular formula of AE-848/11104083?
The molecular formula of AE-848/11104083 is C20H28N4O3S.
What is the molecular weight of AE-848/11104083?
The molecular weight of AE-848/11104083 is 404.19 g/mol.
Where can I buy AE-848/11104083?
You can request a quote for AE-848/11104083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11104083?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11104083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.