Dodecyl nicotinate
TL;DR: Dodecyl nicotinate (CAS 3612-78-0) is a chemical compound with molecular formula C18H29NO2 and molecular weight 291.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl pyridine-3-carboxylate
Also Known As: Nicotinic acid, dodecyl ester, Dodecyl nicotinate, dodecyl pyridine-3-carboxylate, lauryl nicotinate, n-dodecyl nicotinate
| Molecular Formula | C18H29NO2 |
|---|---|
| Molecular Weight | 291.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 291.21982 |
| Heavy Atoms | 21 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 3612-78-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CN=CC=C1 |
| InChIKey | OOBIYKZOAIQDEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl nicotinate (CAS 3612-78-0), with molecular formula C18H29NO2 and molecular weight 291.22 g/mol. IUPAC: dodecyl pyridine-3-carboxylate.
Chemical Property Profile of Dodecyl nicotinate
Property Insights of Dodecyl nicotinate
The XLogP value of 6.8 indicates that Dodecyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Dodecyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl nicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl nicotinate?
The CAS number of Dodecyl nicotinate is 3612-78-0.
What is the molecular formula of Dodecyl nicotinate?
The molecular formula of Dodecyl nicotinate is C18H29NO2.
What is the molecular weight of Dodecyl nicotinate?
The molecular weight of Dodecyl nicotinate is 291.22 g/mol.
Where can I buy Dodecyl nicotinate?
You can request a quote for Dodecyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.