Ent-7alpha-hydroxykaur-16-en-19-oic acid
TL;DR: Ent-7alpha-hydroxykaur-16-en-19-oic acid (CAS 21435-01-8) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Didymooblongin, ent-7alpha-Hydroxykaur-16-en-19-oic acid, ent-7a-Hydroxykaurenoate, ent-7alpha-hydroxykaurenoic acid, 7beta-Hydroxykaurenoic acid
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 21435-01-8 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)(C)C(=O)O |
| InChIKey | KMLXVEXJZSTMBV-YDIYEOSVSA-N |
Product Overview
Ent-7alpha-hydroxykaur-16-en-19-oic acid (CAS 21435-01-8), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (1R,2S,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of Ent-7alpha-hydroxykaur-16-en-19-oic acid
Property Insights of Ent-7alpha-hydroxykaur-16-en-19-oic acid
The XLogP value of 3.9 indicates that Ent-7alpha-hydroxykaur-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 57.5 Ų, Ent-7alpha-hydroxykaur-16-en-19-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ent-7alpha-hydroxykaur-16-en-19-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 Ent-7alpha-hydroxykaur-16-en-19-oic acid?
The CAS number of Ent-7alpha-hydroxykaur-16-en-19-oic acid is 21435-01-8.
What is the molecular formula of Ent-7alpha-hydroxykaur-16-en-19-oic acid?
The molecular formula of Ent-7alpha-hydroxykaur-16-en-19-oic acid is C20H30O3.
What is the molecular weight of Ent-7alpha-hydroxykaur-16-en-19-oic acid?
The molecular weight of Ent-7alpha-hydroxykaur-16-en-19-oic acid is 318.22 g/mol.
Where can I buy Ent-7alpha-hydroxykaur-16-en-19-oic acid?
You can request a quote for Ent-7alpha-hydroxykaur-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-7alpha-hydroxykaur-16-en-19-oic acid?
Yes, KEHONG BIO provides custom synthesis services for Ent-7alpha-hydroxykaur-16-en-19-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.