Truncaquinone B
TL;DR: Truncaquinone B (CAS 78723-18-9) is a chemical compound with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Truncaquinone B, Quinone C1-1, asterriquinone C1, asterriquinone C-1, J3.596.016C
| Molecular Formula | C27H22N2O4 |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15796 |
| Heavy Atoms | 33 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 78723-18-9 |
|---|---|
| SMILES | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O |
| InChIKey | BKRWGHXVQLNRMR-UHFFFAOYSA-N |
Product Overview
Truncaquinone B (CAS 78723-18-9), with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol. IUPAC: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Truncaquinone B
Property Insights of Truncaquinone B
The XLogP value of 5.2 indicates that Truncaquinone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Truncaquinone B. Following Lipinski's Rule of Five, Truncaquinone B has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Truncaquinone B?
The CAS number of Truncaquinone B is 78723-18-9.
What is the molecular formula of Truncaquinone B?
The molecular formula of Truncaquinone B is C27H22N2O4.
What is the molecular weight of Truncaquinone B?
The molecular weight of Truncaquinone B is 438.16 g/mol.
Where can I buy Truncaquinone B?
You can request a quote for Truncaquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Truncaquinone B?
Yes, KEHONG BIO provides custom synthesis services for Truncaquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.