烟酸-6-羟己酯
TL;DR: 烟酸-6-羟己酯 (CAS 101952-63-0) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸-6-羟己酯
6-hydroxyhexyl pyridine-3-carboxylate
Also Known As: 6-Hydroxyhexyl nicotinate, 6-Hydroxyhexylnicotinate, 6-hydroxyhexyl pyridine-3-carboxylate, 6-Hydroxyhexyl=nicotinate, NICOTINIC ACID, 6-HYDROXYHEXYL ESTER
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 101952-63-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCCO |
| InChIKey | HRRFQOPYFCYNRN-UHFFFAOYSA-N |
Product Overview
烟酸-6-羟己酯 (CAS 101952-63-0), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 6-hydroxyhexyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸-6-羟己酯
Property Insights of 烟酸-6-羟己酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸-6-羟己酯. With a topological polar surface area (TPSA) of 59.4 Ų, 烟酸-6-羟己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸-6-羟己酯 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-6-羟己酯?
The CAS number of 烟酸-6-羟己酯 is 101952-63-0.
What is the molecular formula of 烟酸-6-羟己酯?
The molecular formula of 烟酸-6-羟己酯 is C12H17NO3.
What is the molecular weight of 烟酸-6-羟己酯?
The molecular weight of 烟酸-6-羟己酯 is 223.12 g/mol.
Where can I buy 烟酸-6-羟己酯?
You can request a quote for 烟酸-6-羟己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸-6-羟己酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸-6-羟己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.