Quinone B1-4
TL;DR: Quinone B1-4 (CAS 78860-53-4) is a chemical compound with molecular formula C32H30N2O4 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11,11-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3,6-dihydroxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Quinone B1-4, 2,5-Cyclohexadiene-1,4-dione, 2-(5,6-dihydro-4,4-dimethyl-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-5-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-, 3,6-Dihydroxy-2,5-diindol-3'-yl-1,4-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2-(5,6-dihydro-4,4-dimethyl-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-5-[2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-, 3,6-Dihydroxy-2-(2'-(1'',1''-dimethyl-2''-propenyl)indol-3'-yl)-5-(1',7'-(1'',1''-dimethylpropano)indol-3'-yl)-1,4-benzoquinone
| Molecular Formula | C32H30N2O4 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.22055 |
| Heavy Atoms | 38 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 78860-53-4 |
|---|---|
| SMILES | CC1(CCC2=C3N1C=C(C3=CC=C2)C4=C(C(=O)C(=C(C4=O)O)C5=C(NC6=CC=CC=C65)C(C)(C)C=C)O)C |
| InChIKey | FBIKJOKQNGPVJM-UHFFFAOYSA-N |
Product Overview
Quinone B1-4 (CAS 78860-53-4), with molecular formula C32H30N2O4 and molecular weight 506.22 g/mol. IUPAC: 2-(11,11-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3,6-dihydroxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Quinone B1-4
Property Insights of Quinone B1-4
The XLogP value of 6.1 indicates that Quinone B1-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinone B1-4. Following Lipinski's Rule of Five, Quinone B1-4 has 3 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 Quinone B1-4?
The CAS number of Quinone B1-4 is 78860-53-4.
What is the molecular formula of Quinone B1-4?
The molecular formula of Quinone B1-4 is C32H30N2O4.
What is the molecular weight of Quinone B1-4?
The molecular weight of Quinone B1-4 is 506.22 g/mol.
Where can I buy Quinone B1-4?
You can request a quote for Quinone B1-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinone B1-4?
Yes, KEHONG BIO provides custom synthesis services for Quinone B1-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.