2-Methyl-5-phytylbenzoquinone
TL;DR: 2-Methyl-5-phytylbenzoquinone (CAS 96888-50-5) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Methyl-5-phytylbenzoquinone, 2-methyl-5-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 96888-50-5 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)CC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| InChIKey | QHMSZTFWKLGBBI-FGZHOGPDSA-N |
Product Overview
2-Methyl-5-phytylbenzoquinone (CAS 96888-50-5), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: 2-methyl-5-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Methyl-5-phytylbenzoquinone
Property Insights of 2-Methyl-5-phytylbenzoquinone
The XLogP value of 9.5 indicates that 2-Methyl-5-phytylbenzoquinone 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-5-phytylbenzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-phytylbenzoquinone 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-5-phytylbenzoquinone?
The CAS number of 2-Methyl-5-phytylbenzoquinone is 96888-50-5.
What is the molecular formula of 2-Methyl-5-phytylbenzoquinone?
The molecular formula of 2-Methyl-5-phytylbenzoquinone is C27H44O2.
What is the molecular weight of 2-Methyl-5-phytylbenzoquinone?
The molecular weight of 2-Methyl-5-phytylbenzoquinone is 400.33 g/mol.
Where can I buy 2-Methyl-5-phytylbenzoquinone?
You can request a quote for 2-Methyl-5-phytylbenzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-phytylbenzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-phytylbenzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.