1,4-Naphthalenedione, 2-chloro-3-dodecyl-
TL;DR: 1,4-Naphthalenedione, 2-chloro-3-dodecyl- (CAS 64955-12-0) is a chemical compound with molecular formula C22H29ClO2 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-dodecylnaphthalene-1,4-dione
Also Known As: 2-Chloro-3-dodecyl-1,4-naphthoquinone, 2-Chloro-3-dodecyl-1,4-naphthalenedione, 3-Chloro-2-dodecyl-1,4-naphthoquinone, 2-dodecyl-3-chloronaphthoquinone, 1,4-Naphthalenedione, 2-chloro-3-dodecyl-
| Molecular Formula | C22H29ClO2 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.1856 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 64955-12-0 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | ZPVLJVWYGVOTMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-chloro-3-dodecyl- (CAS 64955-12-0), with molecular formula C22H29ClO2 and molecular weight 360.19 g/mol. IUPAC: 2-chloro-3-dodecylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-chloro-3-dodecyl-
Property Insights of 1,4-Naphthalenedione, 2-chloro-3-dodecyl-
The XLogP value of 8.8 indicates that 1,4-Naphthalenedione, 2-chloro-3-dodecyl- 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-chloro-3-dodecyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-chloro-3-dodecyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-chloro-3-dodecyl-?
The CAS number of 1,4-Naphthalenedione, 2-chloro-3-dodecyl- is 64955-12-0.
What is the molecular formula of 1,4-Naphthalenedione, 2-chloro-3-dodecyl-?
The molecular formula of 1,4-Naphthalenedione, 2-chloro-3-dodecyl- is C22H29ClO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-chloro-3-dodecyl-?
The molecular weight of 1,4-Naphthalenedione, 2-chloro-3-dodecyl- is 360.19 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-chloro-3-dodecyl-?
You can request a quote for 1,4-Naphthalenedione, 2-chloro-3-dodecyl- 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-chloro-3-dodecyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-chloro-3-dodecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.