BAS 00727352
TL;DR: BAS 00727352 (CAS 331979-68-1) is a chemical compound with molecular formula C27H20BrClN2O4S and molecular weight 582.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00727352, ethyl (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[5-(4-bromophenyl)-2-furyl]methylene}-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((5-(4-bromophenyl)furan-2-yl)methylene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[5-(4-bromophenyl)(2-furyl)]methylene}-5-(2-chlorophenyl)-7-methyl-3- oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H20BrClN2O4S |
|---|---|
| Molecular Weight | 582.00 g/mol |
| LogP | 5.4742 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 582.0016 |
| Heavy Atoms | 36 |
| Complexity | 1681.4999 |
Chemical Identifiers
| CAS Number | 331979-68-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)Br)/S2)C |
Product Overview
BAS 00727352 (CAS 331979-68-1), with molecular formula C27H20BrClN2O4S and molecular weight 582.00 g/mol. IUPAC: ethyl (2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00727352
Property Insights of BAS 00727352
The XLogP value of 5.4742 indicates that BAS 00727352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00727352. Following Lipinski's Rule of Five, BAS 00727352 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00727352?
The CAS number of BAS 00727352 is 331979-68-1.
What is the molecular formula of BAS 00727352?
The molecular formula of BAS 00727352 is C27H20BrClN2O4S.
What is the molecular weight of BAS 00727352?
The molecular weight of BAS 00727352 is 582.00 g/mol.
Where can I buy BAS 00727352?
You can request a quote for BAS 00727352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727352?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.