3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate
TL;DR: 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate (CAS 895901-63-0) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate
Also Known As: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate, 3,5,5-trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 4.7097 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 657.47906 |
Chemical Identifiers
| CAS Number | 895901-63-0 |
|---|---|
| SMILES | CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CN=CC=C3)(C)C |
Product Overview
3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate (CAS 895901-63-0), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) pyridine-3-carboxylate.
Chemical Property Profile of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate
Property Insights of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate
The XLogP value of 4.7097 indicates that 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate 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 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate?
The CAS number of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate is 895901-63-0.
What is the molecular formula of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate?
The molecular formula of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate is C20H25NO2.
What is the molecular weight of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate?
The molecular weight of 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate is 311.19 g/mol.
Where can I buy 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate?
You can request a quote for 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-8-methylene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.