RefChem:812219
TL;DR: RefChem:812219 (CAS 609794-97-0) is a chemical compound with molecular formula C28H21ClN2O6S and molecular weight 548.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Methyl 2-((5-(4-chlorophenyl)furan-2-yl)methylene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, 645-811-6, METHYL (2Z)-2-((5-(4-CHLOROPHENYL)-2-FURYL)METHYLENE)-5-(4-(METHOXYCARBONYL)PHE NYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARB OXYLATE, methyl (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylate
| Molecular Formula | C28H21ClN2O6S |
|---|---|
| Molecular Weight | 548.08 g/mol |
| LogP | 4.1082 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.0809 |
| Heavy Atoms | 38 |
| Complexity | 1761.2319 |
Chemical Identifiers
| CAS Number | 609794-97-0 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/SC2=N1)C5=CC=C(C=C5)C(=O)OC)C(=O)OC |
Product Overview
RefChem:812219 (CAS 609794-97-0), with molecular formula C28H21ClN2O6S and molecular weight 548.08 g/mol. IUPAC: methyl (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:812219
Property Insights of RefChem:812219
The XLogP value of 4.1082 indicates that RefChem:812219 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:812219. Following Lipinski's Rule of Five, RefChem:812219 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:812219?
The CAS number of RefChem:812219 is 609794-97-0.
What is the molecular formula of RefChem:812219?
The molecular formula of RefChem:812219 is C28H21ClN2O6S.
What is the molecular weight of RefChem:812219?
The molecular weight of RefChem:812219 is 548.08 g/mol.
Where can I buy RefChem:812219?
You can request a quote for RefChem:812219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:812219?
Yes, KEHONG BIO provides custom synthesis services for RefChem:812219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.