Chlorogentisylquinone
TL;DR: Chlorogentisylquinone (CAS 333344-08-4) is a chemical compound with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: chlorogentisylquinone, AGIRBSHCJNCQAK-UHFFFAOYSA-, 2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-(hydroxymethyl)-, 2-(Hydroxymethyl)-6-chloro-p-benzoquinone, 2-chloro-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C7H5ClO3 |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | 0.1796 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99272 |
| Heavy Atoms | 11 |
| Complexity | 275.41028 |
Chemical Identifiers
| CAS Number | 333344-08-4 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1=O)Cl)CO |
Product Overview
Chlorogentisylquinone (CAS 333344-08-4), with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol. IUPAC: 2-chloro-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Chlorogentisylquinone
Property Insights of Chlorogentisylquinone
The XLogP value of 0.1796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorogentisylquinone. With a topological polar surface area (TPSA) of 54.37 Ų, Chlorogentisylquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorogentisylquinone has 1 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 Chlorogentisylquinone?
The CAS number of Chlorogentisylquinone is 333344-08-4.
What is the molecular formula of Chlorogentisylquinone?
The molecular formula of Chlorogentisylquinone is C7H5ClO3.
What is the molecular weight of Chlorogentisylquinone?
The molecular weight of Chlorogentisylquinone is 171.99 g/mol.
Where can I buy Chlorogentisylquinone?
You can request a quote for Chlorogentisylquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorogentisylquinone?
Yes, KEHONG BIO provides custom synthesis services for Chlorogentisylquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.