Trichloro(diethylaminovinyl)-p-benzoquinone
TL;DR: Trichloro(diethylaminovinyl)-p-benzoquinone (CAS 54835-85-7) is a chemical compound with molecular formula C12H12Cl3NO2 and molecular weight 306.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trichloro-6-[2-(diethylamino)ethenyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: trichloro(diethylaminovinyl)-p-benzoquinone, 2,3,5-trichloro-6-[(E)-2-(diethylamino)ethenyl]cyclohexa-2,5, 2,3,5-trichloro-6-[2-(diethylamino)ethenyl]cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-[2-(diethylamino)ethenyl]-
| Molecular Formula | C12H12Cl3NO2 |
|---|---|
| Molecular Weight | 306.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.99335 |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 54835-85-7 |
|---|---|
| SMILES | CCN(CC)C=CC1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl |
| InChIKey | WRUGLGRZUMHJNB-UHFFFAOYSA-N |
Product Overview
Trichloro(diethylaminovinyl)-p-benzoquinone (CAS 54835-85-7), with molecular formula C12H12Cl3NO2 and molecular weight 306.99 g/mol. IUPAC: 2,3,5-trichloro-6-[2-(diethylamino)ethenyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Trichloro(diethylaminovinyl)-p-benzoquinone
Property Insights of Trichloro(diethylaminovinyl)-p-benzoquinone
The XLogP value of 3.8 indicates that Trichloro(diethylaminovinyl)-p-benzoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, Trichloro(diethylaminovinyl)-p-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloro(diethylaminovinyl)-p-benzoquinone has 0 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 Trichloro(diethylaminovinyl)-p-benzoquinone?
The CAS number of Trichloro(diethylaminovinyl)-p-benzoquinone is 54835-85-7.
What is the molecular formula of Trichloro(diethylaminovinyl)-p-benzoquinone?
The molecular formula of Trichloro(diethylaminovinyl)-p-benzoquinone is C12H12Cl3NO2.
What is the molecular weight of Trichloro(diethylaminovinyl)-p-benzoquinone?
The molecular weight of Trichloro(diethylaminovinyl)-p-benzoquinone is 306.99 g/mol.
Where can I buy Trichloro(diethylaminovinyl)-p-benzoquinone?
You can request a quote for Trichloro(diethylaminovinyl)-p-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloro(diethylaminovinyl)-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for Trichloro(diethylaminovinyl)-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.