1-金刚烷甲基烟酸酯N-氧化物
TL;DR: 1-金刚烷甲基烟酸酯N-氧化物 (CAS 64140-44-9) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-金刚烷甲基烟酸酯N-氧化物
1-adamantylmethyl 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 1-Adamantylmethyl nicotinate N-oxide, Nicotinic acid, 1-adamantylmethyl ester, N-oxide, Nicotinic acid,1-adamantylmethyl ester,N-oxide, 1-adamantylmethyl 1-oxidopyridin-1-ium-3-carboxylate, 5-22-02-00140 (Beilstein Handbook Reference)
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 64140-44-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C4=C[N+](=CC=C4)[O-] |
| InChIKey | MRJWLNMHQYXDKI-UHFFFAOYSA-N |
Product Overview
1-金刚烷甲基烟酸酯N-氧化物 (CAS 64140-44-9), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 1-adamantylmethyl 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of 1-金刚烷甲基烟酸酯N-氧化物
Property Insights of 1-金刚烷甲基烟酸酯N-氧化物
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-金刚烷甲基烟酸酯N-氧化物. With a topological polar surface area (TPSA) of 51.8 Ų, 1-金刚烷甲基烟酸酯N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-金刚烷甲基烟酸酯N-氧化物 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 1-金刚烷甲基烟酸酯N-氧化物?
The CAS number of 1-金刚烷甲基烟酸酯N-氧化物 is 64140-44-9.
What is the molecular formula of 1-金刚烷甲基烟酸酯N-氧化物?
The molecular formula of 1-金刚烷甲基烟酸酯N-氧化物 is C17H21NO3.
What is the molecular weight of 1-金刚烷甲基烟酸酯N-氧化物?
The molecular weight of 1-金刚烷甲基烟酸酯N-氧化物 is 287.15 g/mol.
Where can I buy 1-金刚烷甲基烟酸酯N-氧化物?
You can request a quote for 1-金刚烷甲基烟酸酯N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-金刚烷甲基烟酸酯N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 1-金刚烷甲基烟酸酯N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.