2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione
TL;DR: 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione (CAS 64236-23-3) is a chemical compound with molecular formula C31H48O2 and molecular weight 452.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione
Also Known As: Dihydrophylloquinone, 2',3'-Dihydro-phytomenadione, Vitamin K1 Impurity 75, ?,?-Dihydro Vitamin K1, beta,gamma-Dihydro Vitamin K1
| Molecular Formula | C31H48O2 |
|---|---|
| Molecular Weight | 452.37 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 452.36542 |
| Heavy Atoms | 33 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 64236-23-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChIKey | XOQNYHSBHIIJMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione (CAS 64236-23-3), with molecular formula C31H48O2 and molecular weight 452.37 g/mol. IUPAC: 2-methyl-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione
Property Insights of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione
The XLogP value of 10.7 indicates that 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-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-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-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-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione?
The CAS number of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione is 64236-23-3.
What is the molecular formula of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione?
The molecular formula of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione is C31H48O2.
What is the molecular weight of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione?
The molecular weight of 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione is 452.37 g/mol.
Where can I buy 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione?
You can request a quote for 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-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-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.