ChemDiv1_004260
TL;DR: ChemDiv1_004260 (CAS 5833-49-8) is a chemical compound with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-yl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_004260, ethoxy-dimethyl-pyrrol-1-ylmethyl-silane, ethyl 5-(1,3-benzodioxol-5-yl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (8E)-2-BENZO[1,3]DIOXOL-5-YL-8-[(4-METHOXYCARBONYLPHENYL)METHYLIDENE]-4-METHYL-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[4-(methoxycarbonyl)phenyl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H22N2O7S |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 2.3136 |
| Topological Polar Surface Area | 105.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.11478 |
| Heavy Atoms | 36 |
| Complexity | 1581.6102 |
Chemical Identifiers
| CAS Number | 5833-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(C=C5)C(=O)OC)S2)C |
Product Overview
ChemDiv1_004260 (CAS 5833-49-8), with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-yl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_004260
Property Insights of ChemDiv1_004260
The XLogP value of 2.3136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004260. The TPSA of 105.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004260. Following Lipinski's Rule of Five, ChemDiv1_004260 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_004260?
The CAS number of ChemDiv1_004260 is 5833-49-8.
What is the molecular formula of ChemDiv1_004260?
The molecular formula of ChemDiv1_004260 is C26H22N2O7S.
What is the molecular weight of ChemDiv1_004260?
The molecular weight of ChemDiv1_004260 is 506.11 g/mol.
Where can I buy ChemDiv1_004260?
You can request a quote for ChemDiv1_004260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004260?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.