![ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate structure](/static/products/899/899-69-4.png)
ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
TL;DR: ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate (CAS 899-69-4) is a chemical compound with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
Also Known As: 2-Nitro-benzaldiurethan, ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate, Diethyl [(2-nitrophenyl)methylene]biscarbamate
| Molecular Formula | C13H17N3O6 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.11172 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 899-69-4 |
|---|---|
| SMILES | CCOC(=O)NC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)OCC |
| InChIKey | DXJTYSRFLTYVKG-UHFFFAOYSA-N |
Product Overview
ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate (CAS 899-69-4), with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol. IUPAC: ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate.
Chemical Property Profile of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
Property Insights of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate has 2 hydrogen bond donor(s) and 6 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-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate?
The CAS number of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate is 899-69-4.
What is the molecular formula of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate?
The molecular formula of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate is C13H17N3O6.
What is the molecular weight of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate?
The molecular weight of ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate is 311.11 g/mol.
Where can I buy ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate?
You can request a quote for ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]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-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(ethoxycarbonylamino)-(2-nitrophenyl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.