AQ-090/41705196
TL;DR: AQ-090/41705196 (CAS 638995-68-3) is a chemical compound with molecular formula C22H23FN2O4S and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AQ-090/41705196, ethyl 4-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 4-(3-((4-fluorophenoxy)methyl)-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-4-methyl-2-thioxo-1,3,6- trihydropyrimidine-5-carboxylate
| Molecular Formula | C22H23FN2O4S |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 3.7692 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.13626 |
| Heavy Atoms | 30 |
| Complexity | 975.60284 |
Chemical Identifiers
| CAS Number | 638995-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)F)C |
Product Overview
AQ-090/41705196 (CAS 638995-68-3), with molecular formula C22H23FN2O4S and molecular weight 430.14 g/mol. IUPAC: ethyl 4-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AQ-090/41705196
Property Insights of AQ-090/41705196
The XLogP value of 3.7692 indicates that AQ-090/41705196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-090/41705196. Following Lipinski's Rule of Five, AQ-090/41705196 has 2 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 AQ-090/41705196?
The CAS number of AQ-090/41705196 is 638995-68-3.
What is the molecular formula of AQ-090/41705196?
The molecular formula of AQ-090/41705196 is C22H23FN2O4S.
What is the molecular weight of AQ-090/41705196?
The molecular weight of AQ-090/41705196 is 430.14 g/mol.
Where can I buy AQ-090/41705196?
You can request a quote for AQ-090/41705196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41705196?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41705196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.