12-Iodooctadec-9-enoic acid
TL;DR: 12-Iodooctadec-9-enoic acid (CAS 116784-49-7) is a chemical compound with molecular formula C18H33IO2 and molecular weight 408.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-iodooctadec-9-enoic acid
Also Known As: 12-Iode, 12-Iodo-9-octadecenoic acid, (Z)-12-Iodo-9-octadecenoic acid, 12-IODOOCTADEC-9-ENOIC ACID, 9-Octadecenoic acid,12-iodo-, (9Z)-
Technical Specifications
| Molecular Formula | C18H33IO2 |
| Molecular Weight | 408.15253 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 408.15253 Da |
| Heavy Atoms | 21 |
| Complexity | 264.0 |
| SMILES | CCCCCCC(CC=CCCCCCCCC(=O)O)I |
| InChIKey | BCBNYUPICLDNOU-UHFFFAOYSA-N |
Chemical Property Profile of 12-Iodooctadec-9-enoic acid
Property Insights of 12-Iodooctadec-9-enoic acid
The XLogP value of 7.7 indicates that 12-Iodooctadec-9-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 12-Iodooctadec-9-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Iodooctadec-9-enoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 12-Iodooctadec-9-enoic acid?
The CAS number of 12-Iodooctadec-9-enoic acid is 116784-49-7.
What is the molecular formula of 12-Iodooctadec-9-enoic acid?
The molecular formula of 12-Iodooctadec-9-enoic acid is C18H33IO2.
What is the molecular weight of 12-Iodooctadec-9-enoic acid?
The molecular weight of 12-Iodooctadec-9-enoic acid is 408.15253 g/mol.
Where can I buy 12-Iodooctadec-9-enoic acid?
You can request a quote for 12-Iodooctadec-9-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-Iodooctadec-9-enoic acid?
Yes, CoreyChem provides custom synthesis services for 12-Iodooctadec-9-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.