AN-698/40716524
TL;DR: AN-698/40716524 (CAS 371117-46-3) is a chemical compound with molecular formula C27H30N4O5S and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-698/40716524, (Z)-ethyl 5-(4-methoxyphenyl)-7-methyl-2-((5-(4-methylpiperazin-1-yl)furan-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H30N4O5S |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 2.1517 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.19366 |
| Heavy Atoms | 37 |
| Complexity | 1507.04 |
Chemical Identifiers
| CAS Number | 371117-46-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C/C4=CC=C(O4)N5CCN(CC5)C)/S2)C |
Product Overview
AN-698/40716524 (CAS 371117-46-3), with molecular formula C27H30N4O5S and molecular weight 522.19 g/mol. IUPAC: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-698/40716524
Property Insights of AN-698/40716524
The XLogP value of 2.1517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/40716524. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40716524. Following Lipinski's Rule of Five, AN-698/40716524 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/40716524?
The CAS number of AN-698/40716524 is 371117-46-3.
What is the molecular formula of AN-698/40716524?
The molecular formula of AN-698/40716524 is C27H30N4O5S.
What is the molecular weight of AN-698/40716524?
The molecular weight of AN-698/40716524 is 522.19 g/mol.
Where can I buy AN-698/40716524?
You can request a quote for AN-698/40716524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40716524?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40716524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.