AQ-090/41705219
TL;DR: AQ-090/41705219 (CAS 638995-76-3) is a chemical compound with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AQ-090/41705219, ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 4-(3-(ethoxymethyl)-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H24N2O4S |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 2.5876 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1457 |
| Heavy Atoms | 25 |
| Complexity | 687.6537 |
Chemical Identifiers
| CAS Number | 638995-76-3 |
|---|---|
| SMILES | CCOCC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OC |
Product Overview
AQ-090/41705219 (CAS 638995-76-3), with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol. IUPAC: ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AQ-090/41705219
Property Insights of AQ-090/41705219
The XLogP value of 2.5876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-090/41705219. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-090/41705219. Following Lipinski's Rule of Five, AQ-090/41705219 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-090/41705219?
The CAS number of AQ-090/41705219 is 638995-76-3.
What is the molecular formula of AQ-090/41705219?
The molecular formula of AQ-090/41705219 is C18H24N2O4S.
What is the molecular weight of AQ-090/41705219?
The molecular weight of AQ-090/41705219 is 364.15 g/mol.
Where can I buy AQ-090/41705219?
You can request a quote for AQ-090/41705219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-090/41705219?
Yes, KEHONG BIO provides custom synthesis services for AQ-090/41705219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.