Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester
TL;DR: Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester (CAS 59097-05-1) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Also Known As: Allyl 1-methyl-1,2,5,6-tetrahydronicotinate, 5-22-01-00323 (Beilstein Handbook Reference), NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ALLYL ESTER, Allyl=1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate, prop-2-en-1-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 59097-05-1 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)OCC=C |
| InChIKey | WIJFGCTZPDNGPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester (CAS 59097-05-1), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: prop-2-enyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
Chemical Property Profile of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester
Property Insights of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester has 0 hydrogen bond donor(s) and 3 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 Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester?
The CAS number of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester is 59097-05-1.
What is the molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester?
The molecular formula of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester is C10H15NO2.
What is the molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester?
The molecular weight of Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester is 181.11 g/mol.
Where can I buy Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester?
You can request a quote for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.