Voacangarine
TL;DR: Voacangarine (CAS 545-84-6) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Voacristine, Voacangarine, (-)-Voacangarine, (?)-Voacangarine, COACRISTINE
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 545-84-6 |
|---|---|
| SMILES | C[C@@H]([C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC)O |
| InChIKey | OYMQKBZMKFJPMH-VJMPXSKLSA-N |
Product Overview
Voacangarine (CAS 545-84-6), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
Chemical Property Profile of Voacangarine
Property Insights of Voacangarine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Voacangarine. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Voacangarine. Following Lipinski's Rule of Five, Voacangarine has 2 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 Voacangarine?
The CAS number of Voacangarine is 545-84-6.
What is the molecular formula of Voacangarine?
The molecular formula of Voacangarine is C22H28N2O4.
What is the molecular weight of Voacangarine?
The molecular weight of Voacangarine is 384.20 g/mol.
Where can I buy Voacangarine?
You can request a quote for Voacangarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Voacangarine?
Yes, KEHONG BIO provides custom synthesis services for Voacangarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.