1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-
TL;DR: 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- (CAS 78758-03-9) is a chemical compound with molecular formula C16H17ClO2 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-3-pentylnaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-, 2-(chloromethyl)-3-pentylnaphthalene-1,4-dione
| Molecular Formula | C16H17ClO2 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.0917 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 78758-03-9 |
|---|---|
| SMILES | CCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)CCl |
| InChIKey | BWPQLTXBBCTFFD-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- (CAS 78758-03-9), with molecular formula C16H17ClO2 and molecular weight 276.09 g/mol. IUPAC: 2-(chloromethyl)-3-pentylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-
Property Insights of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-
The XLogP value of 4.3 indicates that 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- 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-(chloromethyl)-3-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- 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-(chloromethyl)-3-pentyl-?
The CAS number of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- is 78758-03-9.
What is the molecular formula of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-?
The molecular formula of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- is C16H17ClO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-?
The molecular weight of 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- is 276.09 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-?
You can request a quote for 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- 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-(chloromethyl)-3-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.