tert-Butyl 11-iodoundecanoate
TL;DR: tert-Butyl 11-iodoundecanoate (CAS 96044-28-9) is a chemical compound with molecular formula C15H29IO2 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 11-iodoundecanoate
Also Known As: tert-Butyl 11-iodoundecanoate, tert-Butyl 11-iodoundecanoate #, 11-Iodoundecanoic acid, t-butyl ester, 11-Iodoundecanoic acid,t-butyl ester, Undecanoic acid, 11-iodo-, 1,1-dimethylethyl ester
| Molecular Formula | C15H29IO2 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 368.12122 |
| Heavy Atoms | 18 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 96044-28-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCCCCCCCCCI |
| InChIKey | ZMRVNBCQAGHPHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 11-iodoundecanoate (CAS 96044-28-9), with molecular formula C15H29IO2 and molecular weight 368.12 g/mol. IUPAC: tert-butyl 11-iodoundecanoate.
Chemical Property Profile of tert-Butyl 11-iodoundecanoate
Property Insights of tert-Butyl 11-iodoundecanoate
The XLogP value of 6.5 indicates that tert-Butyl 11-iodoundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 11-iodoundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 11-iodoundecanoate 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 tert-Butyl 11-iodoundecanoate?
The CAS number of tert-Butyl 11-iodoundecanoate is 96044-28-9.
What is the molecular formula of tert-Butyl 11-iodoundecanoate?
The molecular formula of tert-Butyl 11-iodoundecanoate is C15H29IO2.
What is the molecular weight of tert-Butyl 11-iodoundecanoate?
The molecular weight of tert-Butyl 11-iodoundecanoate is 368.12 g/mol.
Where can I buy tert-Butyl 11-iodoundecanoate?
You can request a quote for tert-Butyl 11-iodoundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 11-iodoundecanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 11-iodoundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.