N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide
TL;DR: N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide (CAS 51488-06-3) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide
Also Known As: N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide, N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexan, N-(4-chloro-2-methyl-phenyl)-4,4-dimethyl-2,6-dioxo-cyclohexane-1-carboxamide
| Molecular Formula | C16H18ClNO3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.09753 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 51488-06-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=O)CC(CC2=O)(C)C |
| InChIKey | CCVJWWKWOFAJTP-UHFFFAOYSA-N |
Product Overview
N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide (CAS 51488-06-3), with molecular formula C16H18ClNO3 and molecular weight 307.10 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide
Property Insights of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide 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 N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide?
The CAS number of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide is 51488-06-3.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide is C16H18ClNO3.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide is 307.10 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-4,4-dimethyl-2,6-dioxocyclohexane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.