Methyl 4-tridec-1-enylbenzoate
TL;DR: Methyl 4-tridec-1-enylbenzoate (CAS 339014-50-5) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-tridec-1-enylbenzoate
Also Known As: Methyl 4-tridec-1-enylbenzoate, methyl 4-(1-tridecenyl)benzenecarboxylate
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 6.4073 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 445.4143 |
Chemical Identifiers
| CAS Number | 339014-50-5 |
|---|---|
| SMILES | CCCCCCCCCCCC=CC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-tridec-1-enylbenzoate (CAS 339014-50-5), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: methyl 4-tridec-1-enylbenzoate.
Chemical Property Profile of Methyl 4-tridec-1-enylbenzoate
Property Insights of Methyl 4-tridec-1-enylbenzoate
The XLogP value of 6.4073 indicates that Methyl 4-tridec-1-enylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-tridec-1-enylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-tridec-1-enylbenzoate 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 Methyl 4-tridec-1-enylbenzoate?
The CAS number of Methyl 4-tridec-1-enylbenzoate is 339014-50-5.
What is the molecular formula of Methyl 4-tridec-1-enylbenzoate?
The molecular formula of Methyl 4-tridec-1-enylbenzoate is C21H32O2.
What is the molecular weight of Methyl 4-tridec-1-enylbenzoate?
The molecular weight of Methyl 4-tridec-1-enylbenzoate is 316.24 g/mol.
Where can I buy Methyl 4-tridec-1-enylbenzoate?
You can request a quote for Methyl 4-tridec-1-enylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-tridec-1-enylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-tridec-1-enylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.