BAS 00727420
TL;DR: BAS 00727420 (CAS 5673-76-7) is a chemical compound with molecular formula C29H25ClIN3O3S and molecular weight 657.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(2-chlorophenyl)-2-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00727420, A2188/0092032, ethyl (2Z)-5-(2-chlorophenyl)-2-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(2-chlorophenyl)-2-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(2-chlorophenyl)-2-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H25ClIN3O3S |
|---|---|
| Molecular Weight | 657.03 g/mol |
| LogP | 5.46384 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 657.035 |
| Heavy Atoms | 38 |
| Complexity | 1780.6967 |
Chemical Identifiers
| CAS Number | 5673-76-7 |
|---|---|
| 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)I)C)/S2)C |
Product Overview
BAS 00727420 (CAS 5673-76-7), with molecular formula C29H25ClIN3O3S and molecular weight 657.03 g/mol. IUPAC: ethyl (2Z)-5-(2-chlorophenyl)-2-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00727420
Property Insights of BAS 00727420
The XLogP value of 5.46384 indicates that BAS 00727420 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 00727420. Following Lipinski's Rule of Five, BAS 00727420 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 00727420?
The CAS number of BAS 00727420 is 5673-76-7.
What is the molecular formula of BAS 00727420?
The molecular formula of BAS 00727420 is C29H25ClIN3O3S.
What is the molecular weight of BAS 00727420?
The molecular weight of BAS 00727420 is 657.03 g/mol.
Where can I buy BAS 00727420?
You can request a quote for BAS 00727420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727420?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.