RefChem:1089633
TL;DR: RefChem:1089633 (CAS 39760-19-5) is a chemical compound with molecular formula C21H24BrNO6 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-, methyl 2-propenyl ester, Methyl prop-2-en-1-yl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1089633
| Molecular Formula | C21H24BrNO6 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.0787 |
| Heavy Atoms | 29 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 39760-19-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC |
| InChIKey | LAJPPZUEVBJUTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1089633 (CAS 39760-19-5), with molecular formula C21H24BrNO6 and molecular weight 465.08 g/mol. IUPAC: 3-O-methyl 5-O-prop-2-enyl 4-(3-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1089633
Property Insights of RefChem:1089633
The XLogP value of 3.8 indicates that RefChem:1089633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089633. Following Lipinski's Rule of Five, RefChem:1089633 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 RefChem:1089633?
The CAS number of RefChem:1089633 is 39760-19-5.
What is the molecular formula of RefChem:1089633?
The molecular formula of RefChem:1089633 is C21H24BrNO6.
What is the molecular weight of RefChem:1089633?
The molecular weight of RefChem:1089633 is 465.08 g/mol.
Where can I buy RefChem:1089633?
You can request a quote for RefChem:1089633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089633?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.