-1-3-methyl-5-1,3-pentadiene
TL;DR: -1-3-methyl-5-1,3-pentadiene (CAS 47739-07-1) is a chemical compound with molecular formula C33H38P+ and molecular weight 465.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium
Also Known As: -1-3-methyl-5-1,3-pentadiene, [3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl] triphenyl phosphonium
| Molecular Formula | C33H38P+ |
|---|---|
| Molecular Weight | 465.27 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.27112 |
| Heavy Atoms | 34 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 47739-07-1 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C |
| InChIKey | UJUZVVSRNMBGRO-UHFFFAOYSA-N |
Product Overview
-1-3-methyl-5-1,3-pentadiene (CAS 47739-07-1), with molecular formula C33H38P+ and molecular weight 465.27 g/mol. IUPAC: [3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium.
Chemical Property Profile of -1-3-methyl-5-1,3-pentadiene
Property Insights of -1-3-methyl-5-1,3-pentadiene
The XLogP value of 8.9 indicates that -1-3-methyl-5-1,3-pentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, -1-3-methyl-5-1,3-pentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, -1-3-methyl-5-1,3-pentadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of -1-3-methyl-5-1,3-pentadiene?
The CAS number of -1-3-methyl-5-1,3-pentadiene is 47739-07-1.
What is the molecular formula of -1-3-methyl-5-1,3-pentadiene?
The molecular formula of -1-3-methyl-5-1,3-pentadiene is C33H38P+.
What is the molecular weight of -1-3-methyl-5-1,3-pentadiene?
The molecular weight of -1-3-methyl-5-1,3-pentadiene is 465.27 g/mol.
Where can I buy -1-3-methyl-5-1,3-pentadiene?
You can request a quote for -1-3-methyl-5-1,3-pentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for -1-3-methyl-5-1,3-pentadiene?
Yes, KEHONG BIO provides custom synthesis services for -1-3-methyl-5-1,3-pentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.