Violacein
TL;DR: Violacein (CAS 548-54-9) is a chemical compound with molecular formula C20H13N3O3 and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
Also Known As: Violacein, Anorosin, (3Z)-violacein, VIOLACEIN [MI], 4-26-00-00715 (Beilstein Handbook Reference)
| Molecular Formula | C20H13N3O3 |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.0957 |
| Heavy Atoms | 26 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 548-54-9 |
|---|---|
| SMILES | C1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)O |
| InChIKey | SHLJIZCPRXXHHZ-UHFFFAOYSA-N |
Product Overview
Violacein (CAS 548-54-9), with molecular formula C20H13N3O3 and molecular weight 343.10 g/mol. IUPAC: 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one.
Chemical Property Profile of Violacein
Property Insights of Violacein
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Violacein. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Violacein. Following Lipinski's Rule of Five, Violacein has 4 hydrogen bond donor(s) and 3 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 Violacein?
The CAS number of Violacein is 548-54-9.
What is the molecular formula of Violacein?
The molecular formula of Violacein is C20H13N3O3.
What is the molecular weight of Violacein?
The molecular weight of Violacein is 343.10 g/mol.
Where can I buy Violacein?
You can request a quote for Violacein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Violacein?
Yes, KEHONG BIO provides custom synthesis services for Violacein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.