烟酸1-金刚烷甲基酯
TL;DR: 烟酸1-金刚烷甲基酯 (CAS 24813-27-2) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸1-金刚烷甲基酯
1-adamantylmethyl pyridine-3-carboxylate
Also Known As: 1-Admantylmethyl nicotinate, Nicotinic acid, 1-adamantylmethyl ester, 1-adamanTYLMETHYL NICOTINATE, 1-adamantylmethyl pyridine-3-carboxylate, Nicotinic acid (1-adamantyl)methyl ester
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 24813-27-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CN=CC=C4 |
| InChIKey | UUEREIOEDCBBID-UHFFFAOYSA-N |
Product Overview
烟酸1-金刚烷甲基酯 (CAS 24813-27-2), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: 1-adamantylmethyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸1-金刚烷甲基酯
Property Insights of 烟酸1-金刚烷甲基酯
The XLogP value of 3.9 indicates that 烟酸1-金刚烷甲基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 烟酸1-金刚烷甲基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸1-金刚烷甲基酯 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1-金刚烷甲基酯?
The CAS number of 烟酸1-金刚烷甲基酯 is 24813-27-2.
What is the molecular formula of 烟酸1-金刚烷甲基酯?
The molecular formula of 烟酸1-金刚烷甲基酯 is C17H21NO2.
What is the molecular weight of 烟酸1-金刚烷甲基酯?
The molecular weight of 烟酸1-金刚烷甲基酯 is 271.16 g/mol.
Where can I buy 烟酸1-金刚烷甲基酯?
You can request a quote for 烟酸1-金刚烷甲基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸1-金刚烷甲基酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸1-金刚烷甲基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.