2-Methyl-6,7-dichloromelatonin
TL;DR: 2-Methyl-6,7-dichloromelatonin (CAS 104513-29-3) is a chemical compound with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide
Also Known As: 2-M-6,7-Melatonin, 2-Methyl-6,7-dichloromelatonin, 6,7-dichloro-2-methylmelatonin, N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide, PDSP1_001809
| Molecular Formula | C14H16Cl2N2O2 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05887 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 104513-29-3 |
|---|---|
| SMILES | CC1=C(C2=CC(=C(C(=C2N1)Cl)Cl)OC)CCNC(=O)C |
| InChIKey | IKEWSFJJQOLSPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-6,7-dichloromelatonin (CAS 104513-29-3), with molecular formula C14H16Cl2N2O2 and molecular weight 314.06 g/mol. IUPAC: N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of 2-Methyl-6,7-dichloromelatonin
Property Insights of 2-Methyl-6,7-dichloromelatonin
The XLogP value of 3.3 indicates that 2-Methyl-6,7-dichloromelatonin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.1 Ų, 2-Methyl-6,7-dichloromelatonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6,7-dichloromelatonin 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-Methyl-6,7-dichloromelatonin?
The CAS number of 2-Methyl-6,7-dichloromelatonin is 104513-29-3.
What is the molecular formula of 2-Methyl-6,7-dichloromelatonin?
The molecular formula of 2-Methyl-6,7-dichloromelatonin is C14H16Cl2N2O2.
What is the molecular weight of 2-Methyl-6,7-dichloromelatonin?
The molecular weight of 2-Methyl-6,7-dichloromelatonin is 314.06 g/mol.
Where can I buy 2-Methyl-6,7-dichloromelatonin?
You can request a quote for 2-Methyl-6,7-dichloromelatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6,7-dichloromelatonin?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6,7-dichloromelatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.