Methyl 10,12-pentacosadiynoate
TL;DR: Methyl 10,12-pentacosadiynoate (CAS 120650-77-3) is a chemical compound with molecular formula C26H44O2 and molecular weight 388.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pentacosa-10,12-diynoate
Also Known As: Methyl 10,12-pentacosadiynoate, methyl pentacosa-10,12-diynoate, 10,12-Pentacosadiynoic acid methyl ester, 3-Oxours-12-en-28-oicacid, Methyl 10,12-Pentacosadiynoate, 98%
| Molecular Formula | C26H44O2 |
|---|---|
| Molecular Weight | 388.33 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 388.33414 |
| Heavy Atoms | 28 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 120650-77-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC |
| InChIKey | GGSURCIXQQGITI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 10,12-pentacosadiynoate (CAS 120650-77-3), with molecular formula C26H44O2 and molecular weight 388.33 g/mol. IUPAC: methyl pentacosa-10,12-diynoate.
Chemical Property Profile of Methyl 10,12-pentacosadiynoate
Property Insights of Methyl 10,12-pentacosadiynoate
The XLogP value of 10.4 indicates that Methyl 10,12-pentacosadiynoate 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 10,12-pentacosadiynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 10,12-pentacosadiynoate 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 10,12-pentacosadiynoate?
The CAS number of Methyl 10,12-pentacosadiynoate is 120650-77-3.
What is the molecular formula of Methyl 10,12-pentacosadiynoate?
The molecular formula of Methyl 10,12-pentacosadiynoate is C26H44O2.
What is the molecular weight of Methyl 10,12-pentacosadiynoate?
The molecular weight of Methyl 10,12-pentacosadiynoate is 388.33 g/mol.
Where can I buy Methyl 10,12-pentacosadiynoate?
You can request a quote for Methyl 10,12-pentacosadiynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 10,12-pentacosadiynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 10,12-pentacosadiynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.