3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione
TL;DR: 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione (CAS 1022862-30-1) is a chemical compound with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione
Also Known As: 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione, 3-(3-chloro-5-methyl-phenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.67626 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 946.0205 |
Chemical Identifiers
| CAS Number | 1022862-30-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)Cl)C2(C(C(=O)C3=C(C2=O)C=C(C(=C3)C)C)NCC=C)O |
Product Overview
3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione (CAS 1022862-30-1), with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol. IUPAC: 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione.
Chemical Property Profile of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione
Property Insights of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione
The XLogP value of 3.67626 indicates that 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione. Following Lipinski's Rule of Five, 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione has 2 hydrogen bond donor(s) and 4 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 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione?
The CAS number of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione is 1022862-30-1.
What is the molecular formula of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione?
The molecular formula of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione is C22H22ClNO3.
What is the molecular weight of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione?
The molecular weight of 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione is 383.13 g/mol.
Where can I buy 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione?
You can request a quote for 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.