ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate
TL;DR: ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate (CAS 373368-09-3) is a chemical compound with molecular formula C9H9N5O5 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate
Also Known As: ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate, N'-(4-Nitro-benzo[1,2,5]oxadiazol-5-yl)-hydrazinecarboxylic acid ethyl ester, N-[(4-nitrobenzofurazan-5-yl)amino]carbamic acid ethyl ester, ethyl 2-(4-nitro-2,1,3-benzoxadiazol-5-yl)hydrazinecarboxylate, ethyl 2-(4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)hydrazinecarboxylate
| Molecular Formula | C9H9N5O5 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 1.204 |
| Topological Polar Surface Area | 132.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.06036 |
| Heavy Atoms | 19 |
| Complexity | 624.4879 |
Chemical Identifiers
| CAS Number | 373368-09-3 |
|---|---|
| SMILES | CCOC(=O)NNC1=C(C2=NON=C2C=C1)[N+](=O)[O-] |
Product Overview
ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate (CAS 373368-09-3), with molecular formula C9H9N5O5 and molecular weight 267.06 g/mol. IUPAC: ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate.
Chemical Property Profile of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate
Property Insights of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate
The XLogP value of 1.204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate. The TPSA of 132.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate. Following Lipinski's Rule of Five, ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate has 2 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-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate?
The CAS number of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate is 373368-09-3.
What is the molecular formula of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate?
The molecular formula of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate is C9H9N5O5.
What is the molecular weight of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate?
The molecular weight of ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate is 267.06 g/mol.
Where can I buy ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate?
You can request a quote for ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]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-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.