Heliotrine, 7-acetate
TL;DR: Heliotrine, 7-acetate (CAS 26607-98-7) is a chemical compound with molecular formula C18H29NO6 and molecular weight 355.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: Acetylheliotrine, 7-Acetylheliotrine, HELIOTRINE, 7-ACETATE, (1-(Acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate (1S-(1alpha,7(R*(S*)),7aalpha))-, Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (1S-(1alpha,7(R*(S*)),7aalpha))-
| Molecular Formula | C18H29NO6 |
|---|---|
| Molecular Weight | 355.20 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.1995 |
| Heavy Atoms | 25 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 26607-98-7 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)C)O |
| InChIKey | TYFHUMUZGWLROC-OTPKUTMYSA-N |
Product Overview
Heliotrine, 7-acetate (CAS 26607-98-7), with molecular formula C18H29NO6 and molecular weight 355.20 g/mol. IUPAC: [(7S)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
Chemical Property Profile of Heliotrine, 7-acetate
Property Insights of Heliotrine, 7-acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heliotrine, 7-acetate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Heliotrine, 7-acetate. Following Lipinski's Rule of Five, Heliotrine, 7-acetate has 1 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 Heliotrine, 7-acetate?
The CAS number of Heliotrine, 7-acetate is 26607-98-7.
What is the molecular formula of Heliotrine, 7-acetate?
The molecular formula of Heliotrine, 7-acetate is C18H29NO6.
What is the molecular weight of Heliotrine, 7-acetate?
The molecular weight of Heliotrine, 7-acetate is 355.20 g/mol.
Where can I buy Heliotrine, 7-acetate?
You can request a quote for Heliotrine, 7-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliotrine, 7-acetate?
Yes, KEHONG BIO provides custom synthesis services for Heliotrine, 7-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.