AE-848/31941053
TL;DR: AE-848/31941053 (CAS 339066-49-8) is a chemical compound with molecular formula C12H13ClN2OS2 and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: AE-848/31941053, 4-chloro-6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-chloro-6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C12H13ClN2OS2 |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 3.9179 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.01578 |
| Heavy Atoms | 18 |
| Complexity | 624.0552 |
Chemical Identifiers
| CAS Number | 339066-49-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)Cl)C |
Product Overview
AE-848/31941053 (CAS 339066-49-8), with molecular formula C12H13ClN2OS2 and molecular weight 300.02 g/mol. IUPAC: 3-chloro-12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of AE-848/31941053
Property Insights of AE-848/31941053
The XLogP value of 3.9179 indicates that AE-848/31941053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, AE-848/31941053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-848/31941053 has 0 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-848/31941053?
The CAS number of AE-848/31941053 is 339066-49-8.
What is the molecular formula of AE-848/31941053?
The molecular formula of AE-848/31941053 is C12H13ClN2OS2.
What is the molecular weight of AE-848/31941053?
The molecular weight of AE-848/31941053 is 300.02 g/mol.
Where can I buy AE-848/31941053?
You can request a quote for AE-848/31941053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/31941053?
Yes, KEHONG BIO provides custom synthesis services for AE-848/31941053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.