BAS 00473125
TL;DR: BAS 00473125 (CAS 5544-31-0) is a chemical compound with molecular formula C22H16Cl2N2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00473125, methyl (2Z)-5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 2-(4-chlorobenzylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Methyl (2Z)-5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylene]-7-methyl-3-oxo-4,5-dih ydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H16Cl2N2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 3.715 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.02588 |
| Heavy Atoms | 30 |
| Complexity | 1354.2549 |
Chemical Identifiers
| CAS Number | 5544-31-0 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=N1)C4=CC=CC=C4Cl)C(=O)OC |
Product Overview
BAS 00473125 (CAS 5544-31-0), with molecular formula C22H16Cl2N2O3S and molecular weight 458.03 g/mol. IUPAC: methyl (2Z)-5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00473125
Property Insights of BAS 00473125
The XLogP value of 3.715 indicates that BAS 00473125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00473125. Following Lipinski's Rule of Five, BAS 00473125 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00473125?
The CAS number of BAS 00473125 is 5544-31-0.
What is the molecular formula of BAS 00473125?
The molecular formula of BAS 00473125 is C22H16Cl2N2O3S.
What is the molecular weight of BAS 00473125?
The molecular weight of BAS 00473125 is 458.03 g/mol.
Where can I buy BAS 00473125?
You can request a quote for BAS 00473125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00473125?
Yes, KEHONG BIO provides custom synthesis services for BAS 00473125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.