AE-848/08584001
TL;DR: AE-848/08584001 (CAS 306278-33-1) is a chemical compound with molecular formula C16H16N6S and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile
Also Known As: AE-848/08584001, F0239-0521, 5-amino-1-(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile, 5-amino-1-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carbonitrile, 5-amino-1-{5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H16N6S |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.77208 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.11572 |
| Heavy Atoms | 23 |
| Complexity | 945.7709 |
Chemical Identifiers
| CAS Number | 306278-33-1 |
|---|---|
| SMILES | CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4C(=C(C=N4)C#N)N |
Product Overview
AE-848/08584001 (CAS 306278-33-1), with molecular formula C16H16N6S and molecular weight 324.12 g/mol. IUPAC: 5-amino-1-(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)pyrazole-4-carbonitrile.
Chemical Property Profile of AE-848/08584001
Property Insights of AE-848/08584001
The XLogP value of 2.77208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/08584001. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/08584001. Following Lipinski's Rule of Five, AE-848/08584001 has 1 hydrogen bond donor(s) and 6 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-848/08584001?
The CAS number of AE-848/08584001 is 306278-33-1.
What is the molecular formula of AE-848/08584001?
The molecular formula of AE-848/08584001 is C16H16N6S.
What is the molecular weight of AE-848/08584001?
The molecular weight of AE-848/08584001 is 324.12 g/mol.
Where can I buy AE-848/08584001?
You can request a quote for AE-848/08584001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/08584001?
Yes, KEHONG BIO provides custom synthesis services for AE-848/08584001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.