烟酸-3-羟丙酯
TL;DR: 烟酸-3-羟丙酯 (CAS 101952-65-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸-3-羟丙酯
3-hydroxypropyl pyridine-3-carboxylate
Also Known As: 3-Hydroxypropyl nicotinate, 3-hydroxypropyl pyridine-3-carboxylate, 3-Hydroxypropyl=nicotinate, 3-Pyridinecarboxylic acid, 3-hydroxypropyl ester, NICOTINIC ACID, 3-HYDROXYPROPYL ESTER
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 101952-65-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCO |
| InChIKey | OVVPXBCSMMGCTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酸-3-羟丙酯 (CAS 101952-65-2), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 3-hydroxypropyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸-3-羟丙酯
Property Insights of 烟酸-3-羟丙酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸-3-羟丙酯. With a topological polar surface area (TPSA) of 59.4 Ų, 烟酸-3-羟丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸-3-羟丙酯 has 1 hydrogen bond donor(s) and 4 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-3-羟丙酯?
The CAS number of 烟酸-3-羟丙酯 is 101952-65-2.
What is the molecular formula of 烟酸-3-羟丙酯?
The molecular formula of 烟酸-3-羟丙酯 is C9H11NO3.
What is the molecular weight of 烟酸-3-羟丙酯?
The molecular weight of 烟酸-3-羟丙酯 is 181.07 g/mol.
Where can I buy 烟酸-3-羟丙酯?
You can request a quote for 烟酸-3-羟丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸-3-羟丙酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸-3-羟丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.