ChemDiv1_010150
TL;DR: ChemDiv1_010150 (CAS 5833-97-6) is a chemical compound with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_010150, ETHYL (2E)-5-(4-METHOXYPHENYL)-7-METHYL-3-OXO-2-(3,4,5-TRIMETHOXYBENZYLIDENE)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H28N2O7S |
|---|---|
| Molecular Weight | 524.16 g/mol |
| LogP | 2.8327 |
| Topological Polar Surface Area | 97.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.16174 |
| Heavy Atoms | 37 |
| Complexity | 1509.1063 |
Chemical Identifiers
| CAS Number | 5833-97-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C\C4=CC(=C(C(=C4)OC)OC)OC)/S2)C |
Product Overview
ChemDiv1_010150 (CAS 5833-97-6), with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol. IUPAC: ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_010150
Property Insights of ChemDiv1_010150
The XLogP value of 2.8327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010150. The TPSA of 97.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010150. Following Lipinski's Rule of Five, ChemDiv1_010150 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010150?
The CAS number of ChemDiv1_010150 is 5833-97-6.
What is the molecular formula of ChemDiv1_010150?
The molecular formula of ChemDiv1_010150 is C27H28N2O7S.
What is the molecular weight of ChemDiv1_010150?
The molecular weight of ChemDiv1_010150 is 524.16 g/mol.
Where can I buy ChemDiv1_010150?
You can request a quote for ChemDiv1_010150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010150?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.