(-)-20S-Heyneanine
TL;DR: (-)-20S-Heyneanine (CAS 4865-78-5) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 17-(1-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Also Known As: (-)-20S-Heyneanine, 2'-Chloro-5'-nitropropiophenone, HEYNEANINE B668619K434, Methyl 20-hydroxyibogamine-18-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 4865-78-5 |
|---|---|
| SMILES | CC(C1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC)O |
| InChIKey | VGDQBNXQAOYMPS-UHFFFAOYSA-N |
Product Overview
(-)-20S-Heyneanine (CAS 4865-78-5), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl 17-(1-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate.
Chemical Property Profile of (-)-20S-Heyneanine
Property Insights of (-)-20S-Heyneanine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-20S-Heyneanine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-20S-Heyneanine. Following Lipinski's Rule of Five, (-)-20S-Heyneanine has 2 hydrogen bond donor(s) and 4 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 (-)-20S-Heyneanine?
The CAS number of (-)-20S-Heyneanine is 4865-78-5.
What is the molecular formula of (-)-20S-Heyneanine?
The molecular formula of (-)-20S-Heyneanine is C21H26N2O3.
What is the molecular weight of (-)-20S-Heyneanine?
The molecular weight of (-)-20S-Heyneanine is 354.19 g/mol.
Where can I buy (-)-20S-Heyneanine?
You can request a quote for (-)-20S-Heyneanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-20S-Heyneanine?
Yes, KEHONG BIO provides custom synthesis services for (-)-20S-Heyneanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.