Hardwickic acid
TL;DR: Hardwickic acid (CAS 2836-44-4) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Also Known As: Hardwickic acid, Hardwickiic acid, (+)-Hardwickiic Acid, KST-1A3450, KST-1A3451
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 2836-44-4 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CCC3=COC=C3)CCC=C2C(=O)O)C |
| InChIKey | HHWOKJDCJVESIF-GIPAHHNCSA-N |
Product Overview
Hardwickic acid (CAS 2836-44-4), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: (4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of Hardwickic acid
Property Insights of Hardwickic acid
The XLogP value of 5.6 indicates that Hardwickic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Hardwickic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hardwickic acid has 1 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 Hardwickic acid?
The CAS number of Hardwickic acid is 2836-44-4.
What is the molecular formula of Hardwickic acid?
The molecular formula of Hardwickic acid is C20H28O3.
What is the molecular weight of Hardwickic acid?
The molecular weight of Hardwickic acid is 316.20 g/mol.
Where can I buy Hardwickic acid?
You can request a quote for Hardwickic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hardwickic acid?
Yes, KEHONG BIO provides custom synthesis services for Hardwickic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.