1,4-Naphthalenedione, 2-bromo-3-butyl-
TL;DR: 1,4-Naphthalenedione, 2-bromo-3-butyl- (CAS 114378-32-4) is a chemical compound with molecular formula C14H13BrO2 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-butylnaphthalene-1,4-dione
Also Known As: 2-bromo-3-butylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 2-bromo-3-butyl-, 1,4-Naphthalenedione,2-bromo-3-butyl-, 2-Bromo-3-butyl-naphthalene-1,4-dione, 1,4-Naphthalenedione,2-bromo-3-butyl
| Molecular Formula | C14H13BrO2 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0099 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 114378-32-4 |
|---|---|
| SMILES | CCCCC1=C(C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | DMSXSLJQVPSBBN-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-bromo-3-butyl- (CAS 114378-32-4), with molecular formula C14H13BrO2 and molecular weight 292.01 g/mol. IUPAC: 2-bromo-3-butylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-bromo-3-butyl-
Property Insights of 1,4-Naphthalenedione, 2-bromo-3-butyl-
The XLogP value of 4.2 indicates that 1,4-Naphthalenedione, 2-bromo-3-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Naphthalenedione, 2-bromo-3-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-bromo-3-butyl- 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 1,4-Naphthalenedione, 2-bromo-3-butyl-?
The CAS number of 1,4-Naphthalenedione, 2-bromo-3-butyl- is 114378-32-4.
What is the molecular formula of 1,4-Naphthalenedione, 2-bromo-3-butyl-?
The molecular formula of 1,4-Naphthalenedione, 2-bromo-3-butyl- is C14H13BrO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-bromo-3-butyl-?
The molecular weight of 1,4-Naphthalenedione, 2-bromo-3-butyl- is 292.01 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-bromo-3-butyl-?
You can request a quote for 1,4-Naphthalenedione, 2-bromo-3-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-bromo-3-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-bromo-3-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.