异烟酸1-金刚烷酯
TL;DR: 异烟酸1-金刚烷酯 (CAS 64140-40-5) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异烟酸1-金刚烷酯
1-adamantyl pyridine-4-carboxylate
Also Known As: 1-Admantyl isonicotinate, 1-Adamantylisonicotinate, ISONICOTINIC ACID, 1-ADAMANTYL ESTER, 1-adamantyl pyridine-4-carboxylate, 1-ADAMANTYL ISONICOTINATE
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 64140-40-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=NC=C4 |
| InChIKey | CPLGGZBGOPPANE-UHFFFAOYSA-N |
Product Overview
异烟酸1-金刚烷酯 (CAS 64140-40-5), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: 1-adamantyl pyridine-4-carboxylate.
Chemical Property Profile of 异烟酸1-金刚烷酯
Property Insights of 异烟酸1-金刚烷酯
The XLogP value of 3.4 indicates that 异烟酸1-金刚烷酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 异烟酸1-金刚烷酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异烟酸1-金刚烷酯 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 异烟酸1-金刚烷酯?
The CAS number of 异烟酸1-金刚烷酯 is 64140-40-5.
What is the molecular formula of 异烟酸1-金刚烷酯?
The molecular formula of 异烟酸1-金刚烷酯 is C16H19NO2.
What is the molecular weight of 异烟酸1-金刚烷酯?
The molecular weight of 异烟酸1-金刚烷酯 is 257.14 g/mol.
Where can I buy 异烟酸1-金刚烷酯?
You can request a quote for 异烟酸1-金刚烷酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异烟酸1-金刚烷酯?
Yes, KEHONG BIO provides custom synthesis services for 异烟酸1-金刚烷酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.