Methyl 11-isocyanoundecanoate
TL;DR: Methyl 11-isocyanoundecanoate (CAS 730964-85-9) is a chemical compound with molecular formula C13H23NO2 and molecular weight 225.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-isocyanoundecanoate
Also Known As: Methyl 11-isocyanoundecanoate, 11-Isocyanoundecanoic acid methyl ester, RefChem:353439
| Molecular Formula | C13H23NO2 |
|---|---|
| Molecular Weight | 225.17 g/mol |
| LogP | 3.58959 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 225.17288 |
| Heavy Atoms | 16 |
| Complexity | 208.46835 |
Chemical Identifiers
| CAS Number | 730964-85-9 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCC[N+]#[C-] |
Product Overview
Methyl 11-isocyanoundecanoate (CAS 730964-85-9), with molecular formula C13H23NO2 and molecular weight 225.17 g/mol. IUPAC: methyl 11-isocyanoundecanoate.
Chemical Property Profile of Methyl 11-isocyanoundecanoate
Property Insights of Methyl 11-isocyanoundecanoate
The XLogP value of 3.58959 indicates that Methyl 11-isocyanoundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 11-isocyanoundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 11-isocyanoundecanoate 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 11-isocyanoundecanoate?
The CAS number of Methyl 11-isocyanoundecanoate is 730964-85-9.
What is the molecular formula of Methyl 11-isocyanoundecanoate?
The molecular formula of Methyl 11-isocyanoundecanoate is C13H23NO2.
What is the molecular weight of Methyl 11-isocyanoundecanoate?
The molecular weight of Methyl 11-isocyanoundecanoate is 225.17 g/mol.
Where can I buy Methyl 11-isocyanoundecanoate?
You can request a quote for Methyl 11-isocyanoundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 11-isocyanoundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11-isocyanoundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.