Hypercratine
TL;DR: Hypercratine (CAS 88607-22-1) is a chemical compound with molecular formula C25H30N2O5 and molecular weight 438.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-hydroxy-3-methoxyphenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]-2-pyrrolidin-2-ylethanone
Also Known As: Hypercratine, Ethanone, 1-(2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(2-pyrrolidinyl)-1,4-benzodioxin-6-yl)-2-(2-pyrrolidinyl)-, 1-[2-(4-Hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(pyrrolidin-2-yl)ethan-1-one, 1-[2-(4-hydroxy-3-methoxyphenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]-2-pyrrolidin-2-ylethanone, RefChem:348437
| Molecular Formula | C25H30N2O5 |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.21548 |
| Heavy Atoms | 32 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 88607-22-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C(=O)CC4CCCN4)C5CCCN5)O |
| InChIKey | PIIRYYAPUZGQSP-UHFFFAOYSA-N |
Product Overview
Hypercratine (CAS 88607-22-1), with molecular formula C25H30N2O5 and molecular weight 438.22 g/mol. IUPAC: 1-[2-(4-hydroxy-3-methoxyphenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]-2-pyrrolidin-2-ylethanone.
Chemical Property Profile of Hypercratine
Property Insights of Hypercratine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hypercratine. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hypercratine. Following Lipinski's Rule of Five, Hypercratine 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 Hypercratine?
The CAS number of Hypercratine is 88607-22-1.
What is the molecular formula of Hypercratine?
The molecular formula of Hypercratine is C25H30N2O5.
What is the molecular weight of Hypercratine?
The molecular weight of Hypercratine is 438.22 g/mol.
Where can I buy Hypercratine?
You can request a quote for Hypercratine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hypercratine?
Yes, KEHONG BIO provides custom synthesis services for Hypercratine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.