Semicochliodinol B
TL;DR: Semicochliodinol B (CAS 194224-73-2) 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-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Semicochliodinol B, 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione, 2,5-dihydroxy-3-(1h-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1h-indol-3-yl]-1,4-benzoquinone, 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[6-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione, 2,5-dihydroxy-3-(1H-indol-3-yl)-6-(6-(3-methylbut-2-enyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
| 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 | 928.0 |
Chemical Identifiers
| CAS Number | 194224-73-2 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O)C |
| InChIKey | JWHQWQQROAZMII-UHFFFAOYSA-N |
Product Overview
Semicochliodinol B (CAS 194224-73-2), with molecular formula C27H22N2O4 and molecular weight 438.16 g/mol. IUPAC: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Semicochliodinol B
Property Insights of Semicochliodinol B
The XLogP value of 5.2 indicates that Semicochliodinol 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 Semicochliodinol B. Following Lipinski's Rule of Five, Semicochliodinol 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 Semicochliodinol B?
The CAS number of Semicochliodinol B is 194224-73-2.
What is the molecular formula of Semicochliodinol B?
The molecular formula of Semicochliodinol B is C27H22N2O4.
What is the molecular weight of Semicochliodinol B?
The molecular weight of Semicochliodinol B is 438.16 g/mol.
Where can I buy Semicochliodinol B?
You can request a quote for Semicochliodinol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semicochliodinol B?
Yes, KEHONG BIO provides custom synthesis services for Semicochliodinol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.