烟酸-6-硫氰己酯
TL;DR: 烟酸-6-硫氰己酯 (CAS 101952-78-7) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸-6-硫氰己酯
6-thiocyanatohexyl pyridine-3-carboxylate
Also Known As: 6-Thiocyanatohexyl nicotinate, 6-Thiocyanatohexyl=nicotinate, NICOTINIC ACID, 6-THIOCYANATOHEXYL ESTER, 6-thiocyanatohexyl pyridine-3-carboxylate, Nicotinsaeure-(6-thiocyanato-hexylester)
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 101952-78-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCCSC#N |
| InChIKey | IESWZNJPBAPLIE-UHFFFAOYSA-N |
Product Overview
烟酸-6-硫氰己酯 (CAS 101952-78-7), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 6-thiocyanatohexyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸-6-硫氰己酯
Property Insights of 烟酸-6-硫氰己酯
The XLogP value of 3.1 indicates that 烟酸-6-硫氰己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟酸-6-硫氰己酯. Following Lipinski's Rule of Five, 烟酸-6-硫氰己酯 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 烟酸-6-硫氰己酯?
The CAS number of 烟酸-6-硫氰己酯 is 101952-78-7.
What is the molecular formula of 烟酸-6-硫氰己酯?
The molecular formula of 烟酸-6-硫氰己酯 is C13H16N2O2S.
What is the molecular weight of 烟酸-6-硫氰己酯?
The molecular weight of 烟酸-6-硫氰己酯 is 264.09 g/mol.
Where can I buy 烟酸-6-硫氰己酯?
You can request a quote for 烟酸-6-硫氰己酯 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-硫氰己酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸-6-硫氰己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.