5-Nitro-N-acetyltryptamine
TL;DR: 5-Nitro-N-acetyltryptamine (CAS 96735-08-9) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide
Also Known As: 5-NITRO-N-ACETYLTRYPTAMINE, starbld0001474, N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide, N-(2-(5-nitro-1H-indol-3-yl)ethyl)acetamide, N-[2-(5-nitroindol-3-yl)ethyl]acetamide
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.7547 |
| Topological Polar Surface Area | 88.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 603.6335 |
Chemical Identifiers
| CAS Number | 96735-08-9 |
|---|---|
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
Product Overview
5-Nitro-N-acetyltryptamine (CAS 96735-08-9), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide.
Chemical Property Profile of 5-Nitro-N-acetyltryptamine
Property Insights of 5-Nitro-N-acetyltryptamine
The XLogP value of 1.7547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-N-acetyltryptamine. The TPSA of 88.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-N-acetyltryptamine. Following Lipinski's Rule of Five, 5-Nitro-N-acetyltryptamine has 2 hydrogen bond donor(s) and 3 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 5-Nitro-N-acetyltryptamine?
The CAS number of 5-Nitro-N-acetyltryptamine is 96735-08-9.
What is the molecular formula of 5-Nitro-N-acetyltryptamine?
The molecular formula of 5-Nitro-N-acetyltryptamine is C12H13N3O3.
What is the molecular weight of 5-Nitro-N-acetyltryptamine?
The molecular weight of 5-Nitro-N-acetyltryptamine is 247.10 g/mol.
Where can I buy 5-Nitro-N-acetyltryptamine?
You can request a quote for 5-Nitro-N-acetyltryptamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-N-acetyltryptamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-N-acetyltryptamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.