AE-848/34088002
TL;DR: AE-848/34088002 (CAS 294668-22-7) is a chemical compound with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate
Also Known As: AE-848/34088002, ethyl 5-amino-1-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate, ethyl 5-amino-1-(2-methyl(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin- 4-yl))pyrazole-4-carboxylate, ethyl 5-amino-1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate, ethyl 5-amino-1-{5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}-1H-pyrazole-4-carboxylate
| Molecular Formula | C17H19N5O2S |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 2.82312 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.12595 |
| Heavy Atoms | 25 |
| Complexity | 975.22754 |
Chemical Identifiers
| CAS Number | 294668-22-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)C)N |
Product Overview
AE-848/34088002 (CAS 294668-22-7), with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol. IUPAC: ethyl 5-amino-1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate.
Chemical Property Profile of AE-848/34088002
Property Insights of AE-848/34088002
The XLogP value of 2.82312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/34088002. The TPSA of 95.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/34088002. Following Lipinski's Rule of Five, AE-848/34088002 has 1 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-848/34088002?
The CAS number of AE-848/34088002 is 294668-22-7.
What is the molecular formula of AE-848/34088002?
The molecular formula of AE-848/34088002 is C17H19N5O2S.
What is the molecular weight of AE-848/34088002?
The molecular weight of AE-848/34088002 is 357.13 g/mol.
Where can I buy AE-848/34088002?
You can request a quote for AE-848/34088002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/34088002?
Yes, KEHONG BIO provides custom synthesis services for AE-848/34088002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.