AE-848/40937432
TL;DR: AE-848/40937432 (CAS 461029-41-4) is a chemical compound with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenoxy)-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]acetamide
Also Known As: AE-848/40937432, 2-(2-methylphenoxy)-N-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]acetamide, 2-(2-methylphenoxy)-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]acetamide, N-(2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)phenyl)-2-(o-tolyloxy)acetamide
| Molecular Formula | C25H23N3O2S2 |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 6.04722 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.12317 |
| Heavy Atoms | 32 |
| Complexity | 1285.4186 |
Chemical Identifiers
| CAS Number | 461029-41-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2SC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
AE-848/40937432 (CAS 461029-41-4), with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol. IUPAC: 2-(2-methylphenoxy)-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]acetamide.
Chemical Property Profile of AE-848/40937432
Property Insights of AE-848/40937432
The XLogP value of 6.04722 indicates that AE-848/40937432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40937432. Following Lipinski's Rule of Five, AE-848/40937432 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/40937432?
The CAS number of AE-848/40937432 is 461029-41-4.
What is the molecular formula of AE-848/40937432?
The molecular formula of AE-848/40937432 is C25H23N3O2S2.
What is the molecular weight of AE-848/40937432?
The molecular weight of AE-848/40937432 is 461.12 g/mol.
Where can I buy AE-848/40937432?
You can request a quote for AE-848/40937432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40937432?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40937432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.