ChemDiv1_009301
TL;DR: ChemDiv1_009301 (CAS 371127-87-6) is a chemical compound with molecular formula C26H27FN4O4S and molecular weight 510.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-fluorophenyl)-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: ChemDiv1_009301, (Z)-ethyl 5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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 | C26H27FN4O4S |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.1737 |
| Heavy Atoms | 36 |
| Complexity | 1493.6239 |
Chemical Identifiers
| CAS Number | 371127-87-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)/C(=C/C4=CC=C(O4)N5CCN(CC5)C)/S2)C |
Product Overview
ChemDiv1_009301 (CAS 371127-87-6), with molecular formula C26H27FN4O4S and molecular weight 510.17 g/mol. IUPAC: ethyl (2Z)-5-(4-fluorophenyl)-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 ChemDiv1_009301
Property Insights of ChemDiv1_009301
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_009301. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009301. Following Lipinski's Rule of Five, ChemDiv1_009301 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009301?
The CAS number of ChemDiv1_009301 is 371127-87-6.
What is the molecular formula of ChemDiv1_009301?
The molecular formula of ChemDiv1_009301 is C26H27FN4O4S.
What is the molecular weight of ChemDiv1_009301?
The molecular weight of ChemDiv1_009301 is 510.17 g/mol.
Where can I buy ChemDiv1_009301?
You can request a quote for ChemDiv1_009301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009301?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.