2-Bromomelatonin
TL;DR: 2-Bromomelatonin (CAS 142959-59-9) is a chemical compound with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Also Known As: 2-Bromomelatonin, 2-Bromo Melatonin, 2-Bromo-melatonin, Melatonin,2-Bromo, N-(2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl)acetamide
| Molecular Formula | C13H15BrN2O2 |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.03168 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 142959-59-9 |
|---|---|
| SMILES | CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)Br |
| InChIKey | FNHLXIXCQDGUCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromomelatonin (CAS 142959-59-9), with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol. IUPAC: N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of 2-Bromomelatonin
Property Insights of 2-Bromomelatonin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromomelatonin. With a topological polar surface area (TPSA) of 54.1 Ų, 2-Bromomelatonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromomelatonin 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-Bromomelatonin?
The CAS number of 2-Bromomelatonin is 142959-59-9.
What is the molecular formula of 2-Bromomelatonin?
The molecular formula of 2-Bromomelatonin is C13H15BrN2O2.
What is the molecular weight of 2-Bromomelatonin?
The molecular weight of 2-Bromomelatonin is 310.03 g/mol.
Where can I buy 2-Bromomelatonin?
You can request a quote for 2-Bromomelatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromomelatonin?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromomelatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.