2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone
TL;DR: 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone (CAS 82214-83-3) is a chemical compound with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Also Known As: 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone, 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone #, 2-chloro-3-(3-methylbut-2-enyl)naphthalene-1,4-dione, 2-Chloro-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione, 1,4-2H-Naphthalene-1,4-dione, 2-chloro-3-[2-isopentenyl]-
| Molecular Formula | C15H13ClO2 |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0604 |
| Heavy Atoms | 18 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 82214-83-3 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C |
| InChIKey | GTIOUUQHWVNUFO-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone (CAS 82214-83-3), with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol. IUPAC: 2-chloro-3-(3-methylbut-2-enyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone
Property Insights of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone
The XLogP value of 3.8 indicates that 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone has 0 hydrogen bond donor(s) and 2 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-(3-methyl-2-butenyl)naphthoquinone?
The CAS number of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone is 82214-83-3.
What is the molecular formula of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone?
The molecular formula of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone is C15H13ClO2.
What is the molecular weight of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone?
The molecular weight of 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone is 260.06 g/mol.
Where can I buy 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone?
You can request a quote for 2-Chloro-3-(3-methyl-2-butenyl)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-(3-methyl-2-butenyl)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(3-methyl-2-butenyl)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.