BAS 00778613
TL;DR: BAS 00778613 (CAS 306309-84-2) is a chemical compound with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778613, F1502-0057, ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (E)-ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 3.5132 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03693 |
| Heavy Atoms | 29 |
| Complexity | 1268.9207 |
Chemical Identifiers
| CAS Number | 306309-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S2)C |
Product Overview
BAS 00778613 (CAS 306309-84-2), with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol. IUPAC: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778613
Property Insights of BAS 00778613
The XLogP value of 3.5132 indicates that BAS 00778613 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 00778613. Following Lipinski's Rule of Five, BAS 00778613 has 0 hydrogen bond donor(s) and 6 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 00778613?
The CAS number of BAS 00778613 is 306309-84-2.
What is the molecular formula of BAS 00778613?
The molecular formula of BAS 00778613 is C21H17ClN2O3S2.
What is the molecular weight of BAS 00778613?
The molecular weight of BAS 00778613 is 444.04 g/mol.
Where can I buy BAS 00778613?
You can request a quote for BAS 00778613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778613?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.