5-Chloro-2,3-dimentyl-1,4-benzoquinone
TL;DR: 5-Chloro-2,3-dimentyl-1,4-benzoquinone (CAS 40967-77-9) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: 5-chloro-2,3-dimethylcyclohexa-2,5-diene-1,4-dione, 5-Chloro-2,3-dimentyl-1,4-benzoquinone, 5-CHLORO-2,3-DIMETHYL-(1,4)BENZOQUINONE, 5-chloro-2,3-dimethyl-cyclohexa-2,5-diene-1,4-dione, 637-008-4
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 1.5973 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 297.21393 |
Chemical Identifiers
| CAS Number | 40967-77-9 |
|---|---|
| SMILES | CC1=C(C(=O)C(=CC1=O)Cl)C |
Product Overview
5-Chloro-2,3-dimentyl-1,4-benzoquinone (CAS 40967-77-9), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 5-chloro-2,3-dimethylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-Chloro-2,3-dimentyl-1,4-benzoquinone
Property Insights of 5-Chloro-2,3-dimentyl-1,4-benzoquinone
The XLogP value of 1.5973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2,3-dimentyl-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.14 Ų, 5-Chloro-2,3-dimentyl-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2,3-dimentyl-1,4-benzoquinone has 0 hydrogen bond donor(s) and 2 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 5-Chloro-2,3-dimentyl-1,4-benzoquinone?
The CAS number of 5-Chloro-2,3-dimentyl-1,4-benzoquinone is 40967-77-9.
What is the molecular formula of 5-Chloro-2,3-dimentyl-1,4-benzoquinone?
The molecular formula of 5-Chloro-2,3-dimentyl-1,4-benzoquinone is C8H7ClO2.
What is the molecular weight of 5-Chloro-2,3-dimentyl-1,4-benzoquinone?
The molecular weight of 5-Chloro-2,3-dimentyl-1,4-benzoquinone is 170.01 g/mol.
Where can I buy 5-Chloro-2,3-dimentyl-1,4-benzoquinone?
You can request a quote for 5-Chloro-2,3-dimentyl-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2,3-dimentyl-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2,3-dimentyl-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.