ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate
TL;DR: ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate (CAS 80776-35-8) is a chemical compound with molecular formula C17H15N5O8 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate
Also Known As: ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate, Ethyl (9-ethyl-4,6,8-trinitro-9H-carbazol-3-yl)carbamate, ethyl N-(9-ethyl-4,6,8-trinitro-carbazol-3-yl)carbamate
| Molecular Formula | C17H15N5O8 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.09207 |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 80776-35-8 |
|---|---|
| SMILES | CCN1C2=C(C3=C1C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=C(C=C2)NC(=O)OCC)[N+](=O)[O-] |
| InChIKey | LRJFRHUCJAPYQA-UHFFFAOYSA-N |
Product Overview
ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate (CAS 80776-35-8), with molecular formula C17H15N5O8 and molecular weight 417.09 g/mol. IUPAC: ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate.
Chemical Property Profile of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate
Property Insights of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate
The XLogP value of 3.6 indicates that ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate has 1 hydrogen bond donor(s) and 8 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 ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate?
The CAS number of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate is 80776-35-8.
What is the molecular formula of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate?
The molecular formula of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate is C17H15N5O8.
What is the molecular weight of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate?
The molecular weight of ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate is 417.09 g/mol.
Where can I buy ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate?
You can request a quote for ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(9-ethyl-4,6,8-trinitrocarbazol-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.