ent-Kaur-16-en-19-oic acid
TL;DR: ent-Kaur-16-en-19-oic acid (CAS 68227-60-1) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Kaurenoic acid, Ent-kaurenoic acid, Cunabic acid, Kauren-19-oic acid, ent-Kaur-16-en-19-oic acid
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.0401 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 537.8253 |
Chemical Identifiers
| CAS Number | 68227-60-1 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)C(=C)C4)(C)C(=O)O |
Product Overview
ent-Kaur-16-en-19-oic acid (CAS 68227-60-1), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: (1S,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of ent-Kaur-16-en-19-oic acid
Property Insights of ent-Kaur-16-en-19-oic acid
The XLogP value of 5.0401 indicates that ent-Kaur-16-en-19-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, ent-Kaur-16-en-19-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ent-Kaur-16-en-19-oic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ent-Kaur-16-en-19-oic acid?
The CAS number of ent-Kaur-16-en-19-oic acid is 68227-60-1.
What is the molecular formula of ent-Kaur-16-en-19-oic acid?
The molecular formula of ent-Kaur-16-en-19-oic acid is C20H30O2.
What is the molecular weight of ent-Kaur-16-en-19-oic acid?
The molecular weight of ent-Kaur-16-en-19-oic acid is 302.22 g/mol.
Where can I buy ent-Kaur-16-en-19-oic acid?
You can request a quote for ent-Kaur-16-en-19-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-Kaur-16-en-19-oic acid?
Yes, KEHONG BIO provides custom synthesis services for ent-Kaur-16-en-19-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.