Longifolene formate
TL;DR: Longifolene formate (CAS 68855-38-9) is a chemical compound with molecular formula C16H26BF3O2 and molecular weight 318.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
formic acid;trifluoroborane;(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
Also Known As: Longifolene formate, Formic acid, reaction products with boron trifluoride and (1S,3aR,4S,8aS)-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene, Formic acid, reaction products with boron trifluoride and (1S-(1alpha,3abeta,4alpha,8abeta))-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
| Molecular Formula | C16H26BF3O2 |
|---|---|
| Molecular Weight | 318.20 g/mol |
| LogP | 4.9956 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.19778 |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 68855-38-9 |
|---|---|
| SMILES | B(F)(F)F.C[C@]12CCCC([C@H]3[C@H]1CC[C@@H]3C2=C)(C)C.C(=O)O |
| InChIKey | HOKLZFKWIGQGKB-RBSNQCIISA-N |
Product Overview
Longifolene formate (CAS 68855-38-9), with molecular formula C16H26BF3O2 and molecular weight 318.20 g/mol. IUPAC: formic acid;trifluoroborane;(1R,2R,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane.
Chemical Property Profile of Longifolene formate
Property Insights of Longifolene formate
The XLogP value of 4.9956 indicates that Longifolene formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Longifolene formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Longifolene formate has 1 hydrogen bond donor(s) and 5 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 Longifolene formate?
The CAS number of Longifolene formate is 68855-38-9.
What is the molecular formula of Longifolene formate?
The molecular formula of Longifolene formate is C16H26BF3O2.
What is the molecular weight of Longifolene formate?
The molecular weight of Longifolene formate is 318.20 g/mol.
Where can I buy Longifolene formate?
You can request a quote for Longifolene formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Longifolene formate?
Yes, KEHONG BIO provides custom synthesis services for Longifolene formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.