CDS1_003591
TL;DR: CDS1_003591 (CAS 292871-15-9) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[5-(dimethylamino)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: CDS1_003591, BIM-0010900.P001, AN-758/13663014, ethyl 2-{[5-(dimethylamino)-2-furyl]methylene}-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 2.5188 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1292.6753 |
Chemical Identifiers
| CAS Number | 292871-15-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C/C4=CC=C(O4)N(C)C)/S2)C |
Product Overview
CDS1_003591 (CAS 292871-15-9), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: ethyl (2Z)-2-[[5-(dimethylamino)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 CDS1_003591
Property Insights of CDS1_003591
The XLogP value of 2.5188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_003591. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003591. Following Lipinski's Rule of Five, CDS1_003591 has 0 hydrogen bond donor(s) and 8 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 CDS1_003591?
The CAS number of CDS1_003591 is 292871-15-9.
What is the molecular formula of CDS1_003591?
The molecular formula of CDS1_003591 is C21H21N3O4S2.
What is the molecular weight of CDS1_003591?
The molecular weight of CDS1_003591 is 443.10 g/mol.
Where can I buy CDS1_003591?
You can request a quote for CDS1_003591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003591?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.