15-(Acetyloxy)kaur-16-en-18-oic acid
TL;DR: 15-(Acetyloxy)kaur-16-en-18-oic acid (CAS 6619-97-2) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,10S,15R)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Xylopic acid, 15-(Acetyloxy)kaur-16-en-18-oic acid, 15-acetoxykaur-16-en-18-oic acid, Kaur-16-en-18-oic acid, (4.alpha.,15.beta.)-, (4S,10S,15R)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 6619-97-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C(=C)C2CC[C@@H]3C1(C2)CC[C@H]4C3(CCCC4(C)C(=O)O)C |
| InChIKey | AQBQBBLJTDSVLC-LLQRNYNASA-N |
Product Overview
15-(Acetyloxy)kaur-16-en-18-oic acid (CAS 6619-97-2), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: (4S,10S,15R)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of 15-(Acetyloxy)kaur-16-en-18-oic acid
Property Insights of 15-(Acetyloxy)kaur-16-en-18-oic acid
The XLogP value of 4.5 indicates that 15-(Acetyloxy)kaur-16-en-18-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-(Acetyloxy)kaur-16-en-18-oic acid. Following Lipinski's Rule of Five, 15-(Acetyloxy)kaur-16-en-18-oic acid has 1 hydrogen bond donor(s) and 4 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 15-(Acetyloxy)kaur-16-en-18-oic acid?
The CAS number of 15-(Acetyloxy)kaur-16-en-18-oic acid is 6619-97-2.
What is the molecular formula of 15-(Acetyloxy)kaur-16-en-18-oic acid?
The molecular formula of 15-(Acetyloxy)kaur-16-en-18-oic acid is C22H32O4.
What is the molecular weight of 15-(Acetyloxy)kaur-16-en-18-oic acid?
The molecular weight of 15-(Acetyloxy)kaur-16-en-18-oic acid is 360.23 g/mol.
Where can I buy 15-(Acetyloxy)kaur-16-en-18-oic acid?
You can request a quote for 15-(Acetyloxy)kaur-16-en-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 15-(Acetyloxy)kaur-16-en-18-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 15-(Acetyloxy)kaur-16-en-18-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.