Heleniamarin
TL;DR: Heleniamarin (CAS 66607-74-7) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,7S,9R,12S,13R,15S)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-5-ene-3,11-dione
Also Known As: Heleniamarin, 2H-1,4-Dioxadicyclopent(cd,f)azulene-3,9-dione, 2a,4a,5,6,8,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, (2S-(2alpha,2abeta,4aalpha,6beta,9aalpha,9bbeta,9cbeta))-, (1S,2S,7S,9R,12S,13R,15S)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo(7.5.1.02,6.012,15)pentadec-5-ene-3,11-dione, (1S,2S,7S,9R,12S,13R,15S)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-5-ene-3,11-dione, (2R,2aS,4aR,6S,9aS,9bS,9cS)-2-Hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,8,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.5869 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 620.5388 |
Chemical Identifiers
| CAS Number | 66607-74-7 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]3[C@@H]([C@@]4(C1=CCC4=O)C)O[C@@]([C@]3(C(=O)O2)C)(C)O |
Product Overview
Heleniamarin (CAS 66607-74-7), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: (1S,2S,7S,9R,12S,13R,15S)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-5-ene-3,11-dione.
Chemical Property Profile of Heleniamarin
Property Insights of Heleniamarin
The XLogP value of 1.5869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heleniamarin. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Heleniamarin. Following Lipinski's Rule of Five, Heleniamarin has 1 hydrogen bond donor(s) and 5 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 Heleniamarin?
The CAS number of Heleniamarin is 66607-74-7.
What is the molecular formula of Heleniamarin?
The molecular formula of Heleniamarin is C17H22O5.
What is the molecular weight of Heleniamarin?
The molecular weight of Heleniamarin is 306.15 g/mol.
Where can I buy Heleniamarin?
You can request a quote for Heleniamarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heleniamarin?
Yes, KEHONG BIO provides custom synthesis services for Heleniamarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.