16-Hydroxykauran-18-oic acid
TL;DR: 16-Hydroxykauran-18-oic acid (CAS 2545-55-3) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: 16-Hydroxykauran-18-oic acid, 16-Hydroxykauran-19-oic acid, 16, A-hydroxykauranoic acid, 16-Hydroxy-ent-kauran-19-oic acid
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 2545-55-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@](C4)(C)O)(C)C(=O)O |
| InChIKey | XJSSRXITQUJZLO-SBPXRTMWSA-N |
Product Overview
16-Hydroxykauran-18-oic acid (CAS 2545-55-3), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: (1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of 16-Hydroxykauran-18-oic acid
Property Insights of 16-Hydroxykauran-18-oic acid
The XLogP value of 4.5 indicates that 16-Hydroxykauran-18-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 16-Hydroxykauran-18-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Hydroxykauran-18-oic acid has 2 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 16-Hydroxykauran-18-oic acid?
The CAS number of 16-Hydroxykauran-18-oic acid is 2545-55-3.
What is the molecular formula of 16-Hydroxykauran-18-oic acid?
The molecular formula of 16-Hydroxykauran-18-oic acid is C20H32O3.
What is the molecular weight of 16-Hydroxykauran-18-oic acid?
The molecular weight of 16-Hydroxykauran-18-oic acid is 320.24 g/mol.
Where can I buy 16-Hydroxykauran-18-oic acid?
You can request a quote for 16-Hydroxykauran-18-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxykauran-18-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxykauran-18-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.