2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- (CAS 337470-99-2) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(chloromethyl)-5-methoxy-cyclohexa-2,5-diene-1,4-dione, 2-(chloromethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(CHLOROMETHYL)-5-METHOXY-, 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- (9CI)
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.8337 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 258.6781 |
Chemical Identifiers
| CAS Number | 337470-99-2 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)CCl |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- (CAS 337470-99-2), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(chloromethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-
The XLogP value of 0.8337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-. With a topological polar surface area (TPSA) of 43.37 Ų, 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- 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 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- is 337470-99-2.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- is C8H7ClO3.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- is 186.01 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 2-(chloromethyl)-5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.