BAS 00664751
TL;DR: BAS 00664751 (CAS 5853-29-2) is a chemical compound with molecular formula C34H27ClN4O3S and molecular weight 606.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00664751, ethyl (2Z)-2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-7-methyl-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-7-methyl-3-oxo-5-((E)-styryl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C34H27ClN4O3S |
|---|---|
| Molecular Weight | 606.15 g/mol |
| LogP | 5.9695 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.14923 |
| Heavy Atoms | 43 |
| Complexity | 2040.4115 |
Chemical Identifiers
| CAS Number | 5853-29-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6)/S2)C |
Product Overview
BAS 00664751 (CAS 5853-29-2), with molecular formula C34H27ClN4O3S and molecular weight 606.15 g/mol. IUPAC: ethyl (2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00664751
Property Insights of BAS 00664751
The XLogP value of 5.9695 indicates that BAS 00664751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00664751. Following Lipinski's Rule of Five, BAS 00664751 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 00664751?
The CAS number of BAS 00664751 is 5853-29-2.
What is the molecular formula of BAS 00664751?
The molecular formula of BAS 00664751 is C34H27ClN4O3S.
What is the molecular weight of BAS 00664751?
The molecular weight of BAS 00664751 is 606.15 g/mol.
Where can I buy BAS 00664751?
You can request a quote for BAS 00664751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00664751?
Yes, KEHONG BIO provides custom synthesis services for BAS 00664751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.