2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone
TL;DR: 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone (CAS 4497-72-7) is a chemical compound with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-ethylacetamide
Also Known As: 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone, N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-ethylacetamide, 3-tert.-Butylamino-2-chlor-1,4-naphthochinon, N-(3-chloro-1,4-dioxo-naphthalen-2-yl)-N-ethyl-acetamide, 2-Chloro-3-[N-ethylacetamido]-1,4-naphthoquinone
| Molecular Formula | C14H12ClNO3 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.05057 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 4497-72-7 |
|---|---|
| SMILES | CCN(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)C |
| InChIKey | CNHNNCYBQWVWFY-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone (CAS 4497-72-7), with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol. IUPAC: N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-ethylacetamide.
Chemical Property Profile of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone
Property Insights of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone 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-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone?
The CAS number of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone is 4497-72-7.
What is the molecular formula of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone?
The molecular formula of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone is C14H12ClNO3.
What is the molecular weight of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone?
The molecular weight of 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone is 277.05 g/mol.
Where can I buy 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone?
You can request a quote for 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(N-ethylacetamido)-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.