Cre 223
TL;DR: Cre 223 (CAS 92565-73-6) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Cre 223, 2-pentan-2-yloxyacetic acid, SID:134222994, AQ-405/42300470, 3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 92565-73-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCO2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | FVDUPZNDOAARRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cre 223 (CAS 92565-73-6), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: 3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Cre 223
Property Insights of Cre 223
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cre 223. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cre 223. Following Lipinski's Rule of Five, Cre 223 has 1 hydrogen bond donor(s) and 8 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 Cre 223?
The CAS number of Cre 223 is 92565-73-6.
What is the molecular formula of Cre 223?
The molecular formula of Cre 223 is C21H24N2O7.
What is the molecular weight of Cre 223?
The molecular weight of Cre 223 is 416.16 g/mol.
Where can I buy Cre 223?
You can request a quote for Cre 223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cre 223?
Yes, KEHONG BIO provides custom synthesis services for Cre 223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.