AE-848/36080016
TL;DR: AE-848/36080016 (CAS 342391-93-9) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
Also Known As: AE-848/36080016, 2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid, 2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid, 2-(4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-propionic acid, 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.8912 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1040.3591 |
Chemical Identifiers
| CAS Number | 342391-93-9 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4 |
Product Overview
AE-848/36080016 (CAS 342391-93-9), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid.
Chemical Property Profile of AE-848/36080016
Property Insights of AE-848/36080016
The XLogP value of 3.8912 indicates that AE-848/36080016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36080016. Following Lipinski's Rule of Five, AE-848/36080016 has 1 hydrogen bond donor(s) and 5 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-848/36080016?
The CAS number of AE-848/36080016 is 342391-93-9.
What is the molecular formula of AE-848/36080016?
The molecular formula of AE-848/36080016 is C19H18N2O3S2.
What is the molecular weight of AE-848/36080016?
The molecular weight of AE-848/36080016 is 386.08 g/mol.
Where can I buy AE-848/36080016?
You can request a quote for AE-848/36080016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36080016?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36080016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.