RefChem:338595
TL;DR: RefChem:338595 (CAS 93515-26-5) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: BAS 06345944, dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 4-Benzo[1,3]dioxol-5-yl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 93515-26-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)OC |
| InChIKey | MPQJJXRGOXYEOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:338595 (CAS 93515-26-5), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:338595
Property Insights of RefChem:338595
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:338595. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:338595. Following Lipinski's Rule of Five, RefChem:338595 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:338595?
The CAS number of RefChem:338595 is 93515-26-5.
What is the molecular formula of RefChem:338595?
The molecular formula of RefChem:338595 is C18H19NO6.
What is the molecular weight of RefChem:338595?
The molecular weight of RefChem:338595 is 345.12 g/mol.
Where can I buy RefChem:338595?
You can request a quote for RefChem:338595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:338595?
Yes, KEHONG BIO provides custom synthesis services for RefChem:338595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.