烟酸甲酯
TL;DR: 烟酸甲酯 (CAS 93-60-7) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸甲酯
methyl pyridine-3-carboxylate
Also Known As: METHYL NICOTINATE, Methylnicotinate, Nikomet, Nicometh, Methyl-nicotinate
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Melting Point | 38-43 |
| Boiling Point | 209 |
| Solubility | Soluble |
| Vapor Pressure | 0.27 [mmHg] |
Chemical Identifiers
| CAS Number | 93-60-7 |
|---|---|
| SMILES | COC(=O)C1=CN=CC=C1 |
| InChIKey | YNBADRVTZLEFNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酸甲酯 (CAS 93-60-7), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: methyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸甲酯
Property Insights of 烟酸甲酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸甲酯. With a topological polar surface area (TPSA) of 39.2 Ų, 烟酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸甲酯 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 烟酸甲酯?
The CAS number of 烟酸甲酯 is 93-60-7.
What is the molecular formula of 烟酸甲酯?
The molecular formula of 烟酸甲酯 is C7H7NO2.
What is the molecular weight of 烟酸甲酯?
The molecular weight of 烟酸甲酯 is 137.05 g/mol.
Where can I buy 烟酸甲酯?
You can request a quote for 烟酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.