ethyl N-(2,4,6-trinitrophenyl)carbamate
TL;DR: ethyl N-(2,4,6-trinitrophenyl)carbamate (CAS 6268-35-5) is a chemical compound with molecular formula C9H8N4O8 and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2,4,6-trinitrophenyl)carbamate
Also Known As: picryl-carbamic acid ethyl ester, 2-iodo-1,3,5-trinitro-benzene, ethyl(2,4,6-trinitrophenyl)carbamate, ethyl N-(2,4,6-trinitrophenyl)carbamate, J2.492.054B
| Molecular Formula | C9H8N4O8 |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0342 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 6268-35-5 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KYQFMWDOPNFHDT-UHFFFAOYSA-N |
Product Overview
ethyl N-(2,4,6-trinitrophenyl)carbamate (CAS 6268-35-5), with molecular formula C9H8N4O8 and molecular weight 300.03 g/mol. IUPAC: ethyl N-(2,4,6-trinitrophenyl)carbamate.
Chemical Property Profile of ethyl N-(2,4,6-trinitrophenyl)carbamate
Property Insights of ethyl N-(2,4,6-trinitrophenyl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2,4,6-trinitrophenyl)carbamate. The TPSA of 176.0 Ų indicates high polarity, suggesting ethyl N-(2,4,6-trinitrophenyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-(2,4,6-trinitrophenyl)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-(2,4,6-trinitrophenyl)carbamate?
The CAS number of ethyl N-(2,4,6-trinitrophenyl)carbamate is 6268-35-5.
What is the molecular formula of ethyl N-(2,4,6-trinitrophenyl)carbamate?
The molecular formula of ethyl N-(2,4,6-trinitrophenyl)carbamate is C9H8N4O8.
What is the molecular weight of ethyl N-(2,4,6-trinitrophenyl)carbamate?
The molecular weight of ethyl N-(2,4,6-trinitrophenyl)carbamate is 300.03 g/mol.
Where can I buy ethyl N-(2,4,6-trinitrophenyl)carbamate?
You can request a quote for ethyl N-(2,4,6-trinitrophenyl)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-(2,4,6-trinitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2,4,6-trinitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.