methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate
TL;DR: methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate (CAS 371132-95-5) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate
Also Known As: methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate, methyl 1-(benzo[d][1,3]dioxol-5-ylmethyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 371132-95-5 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C=C1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | YXAZDMOLABOJGK-UHFFFAOYSA-N |
Product Overview
methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate (CAS 371132-95-5), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate.
Chemical Property Profile of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate
Property Insights of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The CAS number of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate is 371132-95-5.
What is the molecular formula of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The molecular formula of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate is C15H13NO5.
What is the molecular weight of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
The molecular weight of methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate is 287.08 g/mol.
Where can I buy methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
You can request a quote for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-oxopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.