褪黑素
TL;DR: 褪黑素 (CAS 73-31-4) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
褪黑素
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Also Known As: Melatonin, Melatonine, N-Acetyl-5-methoxytryptamine, Circadin, Melatol
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
| Melting Point | 117 |
| Solubility | In water, 2 g/L at 20 °C; 5 g/L at 50 °C |
Chemical Identifiers
| CAS Number | 73-31-4 |
|---|---|
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| InChIKey | DRLFMBDRBRZALE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
褪黑素 (CAS 73-31-4), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of 褪黑素
Property Insights of 褪黑素
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 褪黑素. With a topological polar surface area (TPSA) of 54.1 Ų, 褪黑素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 褪黑素 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 褪黑素?
The CAS number of 褪黑素 is 73-31-4.
What is the molecular formula of 褪黑素?
The molecular formula of 褪黑素 is C13H16N2O2.
What is the molecular weight of 褪黑素?
The molecular weight of 褪黑素 is 232.12 g/mol.
Where can I buy 褪黑素?
You can request a quote for 褪黑素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 褪黑素?
Yes, KEHONG BIO provides custom synthesis services for 褪黑素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.