BAS 00727421
TL;DR: BAS 00727421 (CAS 331979-80-7) is a chemical compound with molecular formula C29H25BrClN3O3S and molecular weight 609.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00727421, ethyl (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H25BrClN3O3S |
|---|---|
| Molecular Weight | 609.05 g/mol |
| LogP | 5.62174 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 609.0488 |
| Heavy Atoms | 38 |
| Complexity | 1780.6967 |
Chemical Identifiers
| CAS Number | 331979-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C)/S2)C |
Product Overview
BAS 00727421 (CAS 331979-80-7), with molecular formula C29H25BrClN3O3S and molecular weight 609.05 g/mol. IUPAC: ethyl (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00727421
Property Insights of BAS 00727421
The XLogP value of 5.62174 indicates that BAS 00727421 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 00727421. Following Lipinski's Rule of Five, BAS 00727421 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 00727421?
The CAS number of BAS 00727421 is 331979-80-7.
What is the molecular formula of BAS 00727421?
The molecular formula of BAS 00727421 is C29H25BrClN3O3S.
What is the molecular weight of BAS 00727421?
The molecular weight of BAS 00727421 is 609.05 g/mol.
Where can I buy BAS 00727421?
You can request a quote for BAS 00727421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727421?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.