CDS1_004144
TL;DR: CDS1_004144 (CAS 321976-33-4) is a chemical compound with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: CDS1_004144, BIM-0023811.P001, methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (8Z)-8-(benzo[1,3]dioxol-5-ylmethylidene)-4-methyl-9-oxo-2-[(E)-2-phenylethenyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate, (Z)-methyl 2-(benzo[d][1,3]dioxol-5-ylmethylene)-7-methyl-3-oxo-5-((E)-styryl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H20N2O5S |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 2.802 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.10928 |
| Heavy Atoms | 33 |
| Complexity | 1481.1704 |
Chemical Identifiers
| CAS Number | 321976-33-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=N1)/C=C/C5=CC=CC=C5)C(=O)OC |
Product Overview
CDS1_004144 (CAS 321976-33-4), with molecular formula C25H20N2O5S and molecular weight 460.11 g/mol. IUPAC: methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of CDS1_004144
Property Insights of CDS1_004144
The XLogP value of 2.802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_004144. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004144. Following Lipinski's Rule of Five, CDS1_004144 has 0 hydrogen bond donor(s) and 7 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_004144?
The CAS number of CDS1_004144 is 321976-33-4.
What is the molecular formula of CDS1_004144?
The molecular formula of CDS1_004144 is C25H20N2O5S.
What is the molecular weight of CDS1_004144?
The molecular weight of CDS1_004144 is 460.11 g/mol.
Where can I buy CDS1_004144?
You can request a quote for CDS1_004144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004144?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.