Heliotridine, 7,9-di-n-valerate
TL;DR: Heliotridine, 7,9-di-n-valerate (CAS 59532-52-4) is a chemical compound with molecular formula C18H29NO4 and molecular weight 323.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-7-pentanoyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl pentanoate
Also Known As: 7,9-Di-n-valerylheliotridine, HELIOTRIDINE, 7,9-DI-n-VALERATE, [(7S)-7-pentanoyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl pentanoate, (1S)-7-[(Pentanoyloxy)methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl pentanoate, [(1S)-7-(pentanoyloxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl]pentanoate
| Molecular Formula | C18H29NO4 |
|---|---|
| Molecular Weight | 323.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 323.20966 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 59532-52-4 |
|---|---|
| SMILES | CCCCC(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)CCCC |
| InChIKey | RNPFYZLWVMKCHI-BUSXIPJBSA-N |
Product Overview
Heliotridine, 7,9-di-n-valerate (CAS 59532-52-4), with molecular formula C18H29NO4 and molecular weight 323.21 g/mol. IUPAC: [(7S)-7-pentanoyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl pentanoate.
Chemical Property Profile of Heliotridine, 7,9-di-n-valerate
Property Insights of Heliotridine, 7,9-di-n-valerate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heliotridine, 7,9-di-n-valerate. With a topological polar surface area (TPSA) of 55.8 Ų, Heliotridine, 7,9-di-n-valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heliotridine, 7,9-di-n-valerate has 0 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 Heliotridine, 7,9-di-n-valerate?
The CAS number of Heliotridine, 7,9-di-n-valerate is 59532-52-4.
What is the molecular formula of Heliotridine, 7,9-di-n-valerate?
The molecular formula of Heliotridine, 7,9-di-n-valerate is C18H29NO4.
What is the molecular weight of Heliotridine, 7,9-di-n-valerate?
The molecular weight of Heliotridine, 7,9-di-n-valerate is 323.21 g/mol.
Where can I buy Heliotridine, 7,9-di-n-valerate?
You can request a quote for Heliotridine, 7,9-di-n-valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliotridine, 7,9-di-n-valerate?
Yes, KEHONG BIO provides custom synthesis services for Heliotridine, 7,9-di-n-valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.