Mdl 72567
TL;DR: Mdl 72567 (CAS 94985-29-2) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(furan-2-carbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: Mdl 72567, 3-(2-Furoyl)-5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine, SID:134223320, methyl 5-(furan-2-carbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-(2-furanylcarbonyl)-1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 94985-29-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CO3 |
| InChIKey | SYZMOVBYGJLHNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 72567 (CAS 94985-29-2), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: methyl 5-(furan-2-carbonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Mdl 72567
Property Insights of Mdl 72567
The XLogP value of 3.1 indicates that Mdl 72567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 72567. Following Lipinski's Rule of Five, Mdl 72567 has 1 hydrogen bond donor(s) and 7 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 Mdl 72567?
The CAS number of Mdl 72567 is 94985-29-2.
What is the molecular formula of Mdl 72567?
The molecular formula of Mdl 72567 is C20H18N2O6.
What is the molecular weight of Mdl 72567?
The molecular weight of Mdl 72567 is 382.12 g/mol.
Where can I buy Mdl 72567?
You can request a quote for Mdl 72567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 72567?
Yes, KEHONG BIO provides custom synthesis services for Mdl 72567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.