3,7a-Diepialexine
TL;DR: 3,7a-Diepialexine (CAS 13924-53-3) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Also Known As: 3,7a-Diepialexine, 3-epi-Australine, 3-Epiaustraline, Epiaustraline, Australine
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 13924-53-3 |
|---|---|
| SMILES | C1CN2[C@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CO |
| InChIKey | AIQMLBKBQCVDEY-TVNFTVLESA-N |
Product Overview
3,7a-Diepialexine (CAS 13924-53-3), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: (1R,2R,3S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
Chemical Property Profile of 3,7a-Diepialexine
Property Insights of 3,7a-Diepialexine
The XLogP value of -1.7 indicates that 3,7a-Diepialexine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7a-Diepialexine. Following Lipinski's Rule of Five, 3,7a-Diepialexine has 4 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 3,7a-Diepialexine?
The CAS number of 3,7a-Diepialexine is 13924-53-3.
What is the molecular formula of 3,7a-Diepialexine?
The molecular formula of 3,7a-Diepialexine is C8H15NO4.
What is the molecular weight of 3,7a-Diepialexine?
The molecular weight of 3,7a-Diepialexine is 189.10 g/mol.
Where can I buy 3,7a-Diepialexine?
You can request a quote for 3,7a-Diepialexine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7a-Diepialexine?
Yes, KEHONG BIO provides custom synthesis services for 3,7a-Diepialexine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.