Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate
TL;DR: Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate (CAS 56687-71-9) is a chemical compound with molecular formula C27H52O2 and molecular weight 408.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4,21,21-tetramethyldocos-2-enoate
Also Known As: methyl 2,4,21,21-tetramethyldocos-2-enoate, Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate, 2-Docosenoic acid, 2,4,21,21-tetramethyl-, methyl ester, (E)-, methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C27H52O2 |
|---|---|
| Molecular Weight | 408.40 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 408.39673 |
| Heavy Atoms | 29 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 56687-71-9 |
|---|---|
| SMILES | CC(CCCCCCCCCCCCCCCCC(C)(C)C)C=C(C)C(=O)OC |
| InChIKey | HBRMVKHSYFJDPI-UHFFFAOYSA-N |
Product Overview
Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate (CAS 56687-71-9), with molecular formula C27H52O2 and molecular weight 408.40 g/mol. IUPAC: methyl 2,4,21,21-tetramethyldocos-2-enoate.
Chemical Property Profile of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate
Property Insights of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate
The XLogP value of 11.9 indicates that Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate 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 (2E)-2,4,21,21-tetramethyl-2-docosenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate 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 (2E)-2,4,21,21-tetramethyl-2-docosenoate?
The CAS number of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate is 56687-71-9.
What is the molecular formula of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate?
The molecular formula of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate is C27H52O2.
What is the molecular weight of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate?
The molecular weight of Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate is 408.40 g/mol.
Where can I buy Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate?
You can request a quote for Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-2,4,21,21-tetramethyl-2-docosenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.