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2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
TL;DR: 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one (CAS 16042-92-5) is a chemical compound with molecular formula C19H17ClO and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1-one
Also Known As: 2-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one, 2-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1-one, 1(4H)-Naphthalenone, 2-(chlorophenylmethyl)-4,4-dimethyl-
| Molecular Formula | C19H17ClO |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0968 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 16042-92-5 |
|---|---|
| SMILES | CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)Cl)C |
| InChIKey | MEUGGVYERMFJGJ-UHFFFAOYSA-N |
Product Overview
2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one (CAS 16042-92-5), with molecular formula C19H17ClO and molecular weight 296.10 g/mol. IUPAC: 2-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1-one.
Chemical Property Profile of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
Property Insights of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
The XLogP value of 5.2 indicates that 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one?
The CAS number of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one is 16042-92-5.
What is the molecular formula of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one?
The molecular formula of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one is C19H17ClO.
What is the molecular weight of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one?
The molecular weight of 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one is 296.10 g/mol.
Where can I buy 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one?
You can request a quote for 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.