2-Iodomelatonin
TL;DR: 2-Iodomelatonin (CAS 93515-00-5) is a chemical compound with molecular formula C13H15IN2O2 and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Also Known As: 2-Iodomelatonin, 2-iodo-melatonin, IODOMELATONIN, Melatonin,2-Iodo, n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
| Molecular Formula | C13H15IN2O2 |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.01782 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 93515-00-5 |
|---|---|
| SMILES | CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I |
| InChIKey | FJDDSMSDZHURBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodomelatonin (CAS 93515-00-5), with molecular formula C13H15IN2O2 and molecular weight 358.02 g/mol. IUPAC: N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of 2-Iodomelatonin
Property Insights of 2-Iodomelatonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodomelatonin. With a topological polar surface area (TPSA) of 54.1 Ų, 2-Iodomelatonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodomelatonin has 2 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 2-Iodomelatonin?
The CAS number of 2-Iodomelatonin is 93515-00-5.
What is the molecular formula of 2-Iodomelatonin?
The molecular formula of 2-Iodomelatonin is C13H15IN2O2.
What is the molecular weight of 2-Iodomelatonin?
The molecular weight of 2-Iodomelatonin is 358.02 g/mol.
Where can I buy 2-Iodomelatonin?
You can request a quote for 2-Iodomelatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodomelatonin?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodomelatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.