Methyl 2-undecynoate
TL;DR: Methyl 2-undecynoate (CAS 10522-18-6) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl undec-2-ynoate
Also Known As: Methyl 2-undecynoate, methyl undec-2-ynoate, Methyl decyne carbonate, 2-Undecynoic Acid Methyl Ester, Methyl decine carbonate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| Boiling Point | 230.00 °C. @ 760.00 mm Hg |
| Density | 0.915-0.921 (20°) |
| Solubility | Insoluble in water |
| Refractive Index | 1.443-1.449 |
Chemical Identifiers
| CAS Number | 10522-18-6 |
|---|---|
| SMILES | CCCCCCCCC#CC(=O)OC |
| InChIKey | YPUZOJRRZPRXNV-UHFFFAOYSA-N |
Product Overview
Methyl 2-undecynoate (CAS 10522-18-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: methyl undec-2-ynoate.
Chemical Property Profile of Methyl 2-undecynoate
Property Insights of Methyl 2-undecynoate
The XLogP value of 4.8 indicates that Methyl 2-undecynoate 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 2-undecynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-undecynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-undecynoate?
The CAS number of Methyl 2-undecynoate is 10522-18-6.
What is the molecular formula of Methyl 2-undecynoate?
The molecular formula of Methyl 2-undecynoate is C12H20O2.
What is the molecular weight of Methyl 2-undecynoate?
The molecular weight of Methyl 2-undecynoate is 196.15 g/mol.
Where can I buy Methyl 2-undecynoate?
You can request a quote for Methyl 2-undecynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-undecynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-undecynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.