2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione
TL;DR: 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione (CAS 1258-63-5) is a chemical compound with molecular formula C30H43ClO2 and molecular weight 470.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
Also Known As: 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione, 2-Chloro-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione
| Molecular Formula | C30H43ClO2 |
|---|---|
| Molecular Weight | 470.30 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 470.29517 |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 1258-63-5 |
|---|---|
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C |
| InChIKey | BFMNXKXZDPXHIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione (CAS 1258-63-5), with molecular formula C30H43ClO2 and molecular weight 470.30 g/mol. IUPAC: 2-chloro-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione
Property Insights of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione
The XLogP value of 11.4 indicates that 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione 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-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione 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 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione?
The CAS number of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione is 1258-63-5.
What is the molecular formula of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione?
The molecular formula of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione is C30H43ClO2.
What is the molecular weight of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione?
The molecular weight of 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione is 470.30 g/mol.
Where can I buy 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione?
You can request a quote for 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione 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-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.