BAS 00781038
TL;DR: BAS 00781038 (CAS 328263-66-7) is a chemical compound with molecular formula C27H20ClN3O6S and molecular weight 549.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00781038, A2199/0092567, (E)-ethyl 5-(4-chlorophenyl)-7-methyl-2-((5-(2-nitrophenyl)furan-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-{[5-(2-nitrophenyl)-2-furyl]methylene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H20ClN3O6S |
|---|---|
| Molecular Weight | 549.08 g/mol |
| LogP | 4.6199 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.0761 |
| Heavy Atoms | 38 |
| Complexity | 1781.951 |
Chemical Identifiers
| CAS Number | 328263-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])/S2)C |
Product Overview
BAS 00781038 (CAS 328263-66-7), with molecular formula C27H20ClN3O6S and molecular weight 549.08 g/mol. IUPAC: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00781038
Property Insights of BAS 00781038
The XLogP value of 4.6199 indicates that BAS 00781038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00781038. Following Lipinski's Rule of Five, BAS 00781038 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 BAS 00781038?
The CAS number of BAS 00781038 is 328263-66-7.
What is the molecular formula of BAS 00781038?
The molecular formula of BAS 00781038 is C27H20ClN3O6S.
What is the molecular weight of BAS 00781038?
The molecular weight of BAS 00781038 is 549.08 g/mol.
Where can I buy BAS 00781038?
You can request a quote for BAS 00781038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781038?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.