3-(beta-Hydroxyethyl)coronaridine
TL;DR: 3-(beta-Hydroxyethyl)coronaridine (CAS 82464-33-3) is a chemical compound with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17S,18S)-17-ethyl-14-(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: 3-(beta-Hydroxyethyl)coronaridine, methyl 19-(2-hydroxyethyl)ibogamine-18-carboxylate, Methyl (6xi)-19-(2-hydroxyethyl)-5beta-ibogamine-18-carboxylate, Ibogamine-18-carboxylic acid, 19-(2-hydroxyethyl)-, methyl ester, (19R)-
| Molecular Formula | C23H30N2O3 |
|---|---|
| Molecular Weight | 382.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.22565 |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 82464-33-3 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2CCO)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
| InChIKey | VNIISPOOPCIIEQ-UAFFSZOVSA-N |
Product Overview
3-(beta-Hydroxyethyl)coronaridine (CAS 82464-33-3), with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-14-(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 3-(beta-Hydroxyethyl)coronaridine
Property Insights of 3-(beta-Hydroxyethyl)coronaridine
The XLogP value of 3.3 indicates that 3-(beta-Hydroxyethyl)coronaridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(beta-Hydroxyethyl)coronaridine. Following Lipinski's Rule of Five, 3-(beta-Hydroxyethyl)coronaridine 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 3-(beta-Hydroxyethyl)coronaridine?
The CAS number of 3-(beta-Hydroxyethyl)coronaridine is 82464-33-3.
What is the molecular formula of 3-(beta-Hydroxyethyl)coronaridine?
The molecular formula of 3-(beta-Hydroxyethyl)coronaridine is C23H30N2O3.
What is the molecular weight of 3-(beta-Hydroxyethyl)coronaridine?
The molecular weight of 3-(beta-Hydroxyethyl)coronaridine is 382.23 g/mol.
Where can I buy 3-(beta-Hydroxyethyl)coronaridine?
You can request a quote for 3-(beta-Hydroxyethyl)coronaridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(beta-Hydroxyethyl)coronaridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(beta-Hydroxyethyl)coronaridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.