18-Hydroxycoronaridine
TL;DR: 18-Hydroxycoronaridine (CAS 77431-58-4) 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 (1S,15R,17R,18S)-17-(2-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: albifloranine, 18-hydroxycoronaridine, Ibogamine-18-carboxylic acid, 21-hydroxy-, methyl ester, J1.131.412K, Methyl (6xi)-21-hydroxyibogamine-18-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 77431-58-4 |
|---|---|
| SMILES | COC(=O)[C@@]12C[C@H]3C[C@@H]([C@@H]1N(C3)CCC4=C2NC5=CC=CC=C45)CCO |
| InChIKey | FRCVRUHRFLXLAI-PZXGUROGSA-N |
Product Overview
18-Hydroxycoronaridine (CAS 77431-58-4), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1S,15R,17R,18S)-17-(2-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 18-Hydroxycoronaridine
Property Insights of 18-Hydroxycoronaridine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-Hydroxycoronaridine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-Hydroxycoronaridine. Following Lipinski's Rule of Five, 18-Hydroxycoronaridine 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 18-Hydroxycoronaridine?
The CAS number of 18-Hydroxycoronaridine is 77431-58-4.
What is the molecular formula of 18-Hydroxycoronaridine?
The molecular formula of 18-Hydroxycoronaridine is C21H26N2O3.
What is the molecular weight of 18-Hydroxycoronaridine?
The molecular weight of 18-Hydroxycoronaridine is 354.19 g/mol.
Where can I buy 18-Hydroxycoronaridine?
You can request a quote for 18-Hydroxycoronaridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-Hydroxycoronaridine?
Yes, KEHONG BIO provides custom synthesis services for 18-Hydroxycoronaridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.