ChemDiv1_020820
TL;DR: ChemDiv1_020820 (CAS 313382-07-9) is a chemical compound with molecular formula C31H34N2O5S and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: ChemDiv1_020820, (Z)-8-ethyl 6-methyl 5-amino-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-ethyl 6-methyl (2Z)-5-amino-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate, 8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C31H34N2O5S |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.2189 |
| Heavy Atoms | 39 |
| Complexity | 1606.9797 |
Chemical Identifiers
| CAS Number | 313382-07-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)C(C)C)C(=O)OC)N)C(=O)/C(=C/C4=CC=C(C=C4)C(C)C)/S2 |
Product Overview
ChemDiv1_020820 (CAS 313382-07-9), with molecular formula C31H34N2O5S and molecular weight 546.22 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
Chemical Property Profile of ChemDiv1_020820
Property Insights of ChemDiv1_020820
The XLogP value of 3.7969 indicates that ChemDiv1_020820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020820. Following Lipinski's Rule of Five, ChemDiv1_020820 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020820?
The CAS number of ChemDiv1_020820 is 313382-07-9.
What is the molecular formula of ChemDiv1_020820?
The molecular formula of ChemDiv1_020820 is C31H34N2O5S.
What is the molecular weight of ChemDiv1_020820?
The molecular weight of ChemDiv1_020820 is 546.22 g/mol.
Where can I buy ChemDiv1_020820?
You can request a quote for ChemDiv1_020820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020820?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.