CDS1_004331
TL;DR: CDS1_004331 (CAS 313965-70-7) is a chemical compound with molecular formula C24H20N2O3S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: CDS1_004331, BIM-0023881.P001, (E)-methyl 7-methyl-3-oxo-5-phenyl-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, F1502-0051, methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H20N2O3S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.0733 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.11948 |
| Heavy Atoms | 30 |
| Complexity | 1316.2657 |
Chemical Identifiers
| CAS Number | 313965-70-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=N1)C4=CC=CC=C4)C(=O)OC |
Product Overview
CDS1_004331 (CAS 313965-70-7), with molecular formula C24H20N2O3S and molecular weight 416.12 g/mol. IUPAC: methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of CDS1_004331
Property Insights of CDS1_004331
The XLogP value of 3.0733 indicates that CDS1_004331 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 CDS1_004331. Following Lipinski's Rule of Five, CDS1_004331 has 0 hydrogen bond donor(s) and 5 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_004331?
The CAS number of CDS1_004331 is 313965-70-7.
What is the molecular formula of CDS1_004331?
The molecular formula of CDS1_004331 is C24H20N2O3S.
What is the molecular weight of CDS1_004331?
The molecular weight of CDS1_004331 is 416.12 g/mol.
Where can I buy CDS1_004331?
You can request a quote for CDS1_004331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004331?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.