BAS 00727366
TL;DR: BAS 00727366 (CAS 331979-74-9) is a chemical compound with molecular formula C28H22ClN3O7S and molecular weight 579.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(2-chlorophenyl)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00727366, ethyl (2Z)-5-(2-chlorophenyl)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(2-chlorophenyl)-2-[(5-{2-nitro-4-methoxyphenyl}-2-furyl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(2-chlorophenyl)-2-((5-(4-methoxy-2-nitrophenyl)furan-2-yl)methylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H22ClN3O7S |
|---|---|
| Molecular Weight | 579.09 g/mol |
| LogP | 4.6285 |
| Topological Polar Surface Area | 126.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 579.0867 |
| Heavy Atoms | 40 |
| Complexity | 1868.5846 |
Chemical Identifiers
| CAS Number | 331979-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-])/S2)C |
Product Overview
BAS 00727366 (CAS 331979-74-9), with molecular formula C28H22ClN3O7S and molecular weight 579.09 g/mol. IUPAC: ethyl (2Z)-5-(2-chlorophenyl)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00727366
Property Insights of BAS 00727366
The XLogP value of 4.6285 indicates that BAS 00727366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00727366. Following Lipinski's Rule of Five, BAS 00727366 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 BAS 00727366?
The CAS number of BAS 00727366 is 331979-74-9.
What is the molecular formula of BAS 00727366?
The molecular formula of BAS 00727366 is C28H22ClN3O7S.
What is the molecular weight of BAS 00727366?
The molecular weight of BAS 00727366 is 579.09 g/mol.
Where can I buy BAS 00727366?
You can request a quote for BAS 00727366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727366?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.