2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- (CAS 351004-63-2) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-chloro-3-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-, 5-amino-2-chloro-3-methyl-cyclohexa-2,5-diene-1,4-dione, 5-amino-2-chloro-3-methylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 0.4936 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 301.56244 |
Chemical Identifiers
| CAS Number | 351004-63-2 |
|---|---|
| SMILES | CC1=C(C(=O)C=C(C1=O)N)Cl |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- (CAS 351004-63-2), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: 5-amino-2-chloro-3-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-
The XLogP value of 0.4936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- 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 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- is 351004-63-2.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- is C7H6ClNO2.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- is 171.01 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl-?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- 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, 5-amino-2-chloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 5-amino-2-chloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.