Chaparrinone, 15-heptyl-
TL;DR: Chaparrinone, 15-heptyl- (CAS 83117-10-6) is a chemical compound with molecular formula C27H40O7 and molecular weight 476.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptyl-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Also Known As: CHAPARRINONE, 15-HEPTYL-, 15-Heptyl-1,11,12-trihydroxy-11,20-epoxypicras-3-ene-2,16-dione, Picras-3-ene-2, 11,20-epoxy-15-heptyl-1,11,12-trihydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-
| Molecular Formula | C27H40O7 |
|---|---|
| Molecular Weight | 476.28 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.2774 |
| Heavy Atoms | 34 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 83117-10-6 |
|---|---|
| SMILES | CCCCCCCC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C |
| InChIKey | NDUYWKAMDXACGO-UHFFFAOYSA-N |
Product Overview
Chaparrinone, 15-heptyl- (CAS 83117-10-6), with molecular formula C27H40O7 and molecular weight 476.28 g/mol. IUPAC: 8-heptyl-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione.
Chemical Property Profile of Chaparrinone, 15-heptyl-
Property Insights of Chaparrinone, 15-heptyl-
The XLogP value of 3.3 indicates that Chaparrinone, 15-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chaparrinone, 15-heptyl-. Following Lipinski's Rule of Five, Chaparrinone, 15-heptyl- has 3 hydrogen bond donor(s) and 7 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 Chaparrinone, 15-heptyl-?
The CAS number of Chaparrinone, 15-heptyl- is 83117-10-6.
What is the molecular formula of Chaparrinone, 15-heptyl-?
The molecular formula of Chaparrinone, 15-heptyl- is C27H40O7.
What is the molecular weight of Chaparrinone, 15-heptyl-?
The molecular weight of Chaparrinone, 15-heptyl- is 476.28 g/mol.
Where can I buy Chaparrinone, 15-heptyl-?
You can request a quote for Chaparrinone, 15-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaparrinone, 15-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for Chaparrinone, 15-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.