BAS 01001897
TL;DR: BAS 01001897 (CAS 333770-40-4) is a chemical compound with molecular formula C29H26FN3O3S and molecular weight 515.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 01001897, ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 2-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-2-{[1-(4-FLUOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-7-METHYL-3-OXO-5-PHENYL-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H26FN3O3S |
|---|---|
| Molecular Weight | 515.17 g/mol |
| LogP | 4.34494 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1679 |
| Heavy Atoms | 37 |
| Complexity | 1710.7233 |
Chemical Identifiers
| CAS Number | 333770-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)/S2)C |
Product Overview
BAS 01001897 (CAS 333770-40-4), with molecular formula C29H26FN3O3S and molecular weight 515.17 g/mol. IUPAC: ethyl (2E)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 01001897
Property Insights of BAS 01001897
The XLogP value of 4.34494 indicates that BAS 01001897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01001897. Following Lipinski's Rule of Five, BAS 01001897 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01001897?
The CAS number of BAS 01001897 is 333770-40-4.
What is the molecular formula of BAS 01001897?
The molecular formula of BAS 01001897 is C29H26FN3O3S.
What is the molecular weight of BAS 01001897?
The molecular weight of BAS 01001897 is 515.17 g/mol.
Where can I buy BAS 01001897?
You can request a quote for BAS 01001897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01001897?
Yes, KEHONG BIO provides custom synthesis services for BAS 01001897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.