![16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid structure](/static/products/7501/7501-47-5.webp)
16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
TL;DR: 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid (CAS 7501-47-5) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
Also Known As: 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid, 2-(2-Hydroperoxypropan-2-yl)-4b,8-dimethyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-3,10a-epidioxyphenanthrene-8-carboxylic acid
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 7501-47-5 |
|---|---|
| SMILES | CC12CCCC(C1CCC34C2CC(C(=C3)C(C)(C)OO)OO4)(C)C(=O)O |
| InChIKey | HAPYGVXWHYQMIJ-UHFFFAOYSA-N |
Product Overview
16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid (CAS 7501-47-5), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: 16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid.
Chemical Property Profile of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
Property Insights of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid. Following Lipinski's Rule of Five, 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid?
The CAS number of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid is 7501-47-5.
What is the molecular formula of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid?
The molecular formula of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid is C20H30O6.
What is the molecular weight of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid?
The molecular weight of 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid is 366.20 g/mol.
Where can I buy 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid?
You can request a quote for 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.