BAS 00996534
TL;DR: BAS 00996534 (CAS 5831-52-7) is a chemical compound with molecular formula C25H19ClN2O4S2 and molecular weight 510.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00996534, ethyl (2E)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[5-(3-chlorophenyl)-2-furyl]methylene}-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{[5-(3-chlorophenyl)(2-furyl)]methylene}-7-methyl-3-oxo-5-(2-thienyl)- 4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H19ClN2O4S2 |
|---|---|
| Molecular Weight | 510.05 g/mol |
| LogP | 4.7732 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.0475 |
| Heavy Atoms | 34 |
| Complexity | 1591.9244 |
Chemical Identifiers
| CAS Number | 5831-52-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(O4)C5=CC(=CC=C5)Cl)/S2)C |
Product Overview
BAS 00996534 (CAS 5831-52-7), with molecular formula C25H19ClN2O4S2 and molecular weight 510.05 g/mol. IUPAC: ethyl (2E)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00996534
Property Insights of BAS 00996534
The XLogP value of 4.7732 indicates that BAS 00996534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00996534. Following Lipinski's Rule of Five, BAS 00996534 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00996534?
The CAS number of BAS 00996534 is 5831-52-7.
What is the molecular formula of BAS 00996534?
The molecular formula of BAS 00996534 is C25H19ClN2O4S2.
What is the molecular weight of BAS 00996534?
The molecular weight of BAS 00996534 is 510.05 g/mol.
Where can I buy BAS 00996534?
You can request a quote for BAS 00996534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00996534?
Yes, KEHONG BIO provides custom synthesis services for BAS 00996534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.