AE-848/33856035
TL;DR: AE-848/33856035 (CAS 301675-71-8) is a chemical compound with molecular formula C16H18N4S and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AE-848/33856035, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, F0239-0413, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C16H18N4S |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.1252 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 301675-71-8 |
|---|---|
| SMILES | CC1=CC(=NN1C2=C3C4=C(CCCC4)SC3=NC(=N2)C)C |
| InChIKey | HEMUYMALRGJHAO-UHFFFAOYSA-N |
Product Overview
AE-848/33856035 (CAS 301675-71-8), with molecular formula C16H18N4S and molecular weight 298.13 g/mol. IUPAC: 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AE-848/33856035
Property Insights of AE-848/33856035
The XLogP value of 4.3 indicates that AE-848/33856035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33856035. Following Lipinski's Rule of Five, AE-848/33856035 has 0 hydrogen bond donor(s) and 4 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-848/33856035?
The CAS number of AE-848/33856035 is 301675-71-8.
What is the molecular formula of AE-848/33856035?
The molecular formula of AE-848/33856035 is C16H18N4S.
What is the molecular weight of AE-848/33856035?
The molecular weight of AE-848/33856035 is 298.13 g/mol.
Where can I buy AE-848/33856035?
You can request a quote for AE-848/33856035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33856035?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33856035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.