AE-641/14043047
TL;DR: AE-641/14043047 (CAS 303033-84-3) is a chemical compound with molecular formula C25H20F2N2O3S2 and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AE-641/14043047, F1008-0203, 2-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 5-({2-[2-(difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-((2-(2-(difluoromethoxy)phenyl)-2-oxoethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H20F2N2O3S2 |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 5.9024 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.08835 |
| Heavy Atoms | 34 |
| Complexity | 1417.2008 |
Chemical Identifiers
| CAS Number | 303033-84-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5OC(F)F |
Product Overview
AE-641/14043047 (CAS 303033-84-3), with molecular formula C25H20F2N2O3S2 and molecular weight 498.09 g/mol. IUPAC: 2-[2-[2-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AE-641/14043047
Property Insights of AE-641/14043047
The XLogP value of 5.9024 indicates that AE-641/14043047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14043047. Following Lipinski's Rule of Five, AE-641/14043047 has 0 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-641/14043047?
The CAS number of AE-641/14043047 is 303033-84-3.
What is the molecular formula of AE-641/14043047?
The molecular formula of AE-641/14043047 is C25H20F2N2O3S2.
What is the molecular weight of AE-641/14043047?
The molecular weight of AE-641/14043047 is 498.09 g/mol.
Where can I buy AE-641/14043047?
You can request a quote for AE-641/14043047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14043047?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14043047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.