ChemDiv1_001086
TL;DR: ChemDiv1_001086 (CAS 5679-64-1) is a chemical compound with molecular formula C26H26N2O7S and molecular weight 510.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_001086, ETHYL (8Z)-2-(3,4-DIMETHOXYPHENYL)-8-[(4-HYDROXY-3-METHOXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H26N2O7S |
|---|---|
| Molecular Weight | 510.15 g/mol |
| LogP | 2.5297 |
| Topological Polar Surface Area | 108.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.14606 |
| Heavy Atoms | 36 |
| Complexity | 1534.5399 |
Chemical Identifiers
| CAS Number | 5679-64-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC(=C(C=C4)O)OC)S2)C |
Product Overview
ChemDiv1_001086 (CAS 5679-64-1), with molecular formula C26H26N2O7S and molecular weight 510.15 g/mol. IUPAC: ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_001086
Property Insights of ChemDiv1_001086
The XLogP value of 2.5297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001086. The TPSA of 108.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001086. Following Lipinski's Rule of Five, ChemDiv1_001086 has 1 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_001086?
The CAS number of ChemDiv1_001086 is 5679-64-1.
What is the molecular formula of ChemDiv1_001086?
The molecular formula of ChemDiv1_001086 is C26H26N2O7S.
What is the molecular weight of ChemDiv1_001086?
The molecular weight of ChemDiv1_001086 is 510.15 g/mol.
Where can I buy ChemDiv1_001086?
You can request a quote for ChemDiv1_001086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.