AE-848/12560119
TL;DR: AE-848/12560119 (CAS 304684-18-2) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
Also Known As: AE-848/12560119, ethyl 3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanoate, Ethyl 3-(4-oxo-1,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoate, ethyl 3-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-yl)prop anoate, ethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 304684-18-2 |
|---|---|
| SMILES | CCOC(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | WPTAVXANLFWORD-UHFFFAOYSA-N |
Product Overview
AE-848/12560119 (CAS 304684-18-2), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: ethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate.
Chemical Property Profile of AE-848/12560119
Property Insights of AE-848/12560119
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/12560119. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/12560119. Following Lipinski's Rule of Five, AE-848/12560119 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-848/12560119?
The CAS number of AE-848/12560119 is 304684-18-2.
What is the molecular formula of AE-848/12560119?
The molecular formula of AE-848/12560119 is C15H18N2O3S.
What is the molecular weight of AE-848/12560119?
The molecular weight of AE-848/12560119 is 306.10 g/mol.
Where can I buy AE-848/12560119?
You can request a quote for AE-848/12560119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12560119?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12560119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.