ethyl N-5-azido-2-nitrobenzoylaminoacetimidate
TL;DR: ethyl N-5-azido-2-nitrobenzoylaminoacetimidate (CAS 65125-36-2) is a chemical compound with molecular formula C11H13ClN6O4 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-azido-2-nitrobenzoyl)amino]ethanimidate;hydrochloride
Also Known As: Sid 773645, Ethyl N-5-azido-2-nitrobenzoylaminoacetimidate, ethyl 2-[(5-azido-2-nitrobenzoyl)amino]ethanimidate hydrochloride, ethyl 2-[(5-azido-2-nitrobenzoyl)amino]ethanimidate,hydrochloride, ethyl 2-[(5-azido-2-nitrobenzoyl)amino]ethanimidate;hydrochloride
| Molecular Formula | C11H13ClN6O4 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.70197 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0687 |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 65125-36-2 |
|---|---|
| SMILES | CCOC(=N)CNC(=O)C1=C(C=CC(=C1)N=[N+]=[N-])[N+](=O)[O-].Cl |
| InChIKey | NSJPBCHHKMORKO-UHFFFAOYSA-N |
Product Overview
ethyl N-5-azido-2-nitrobenzoylaminoacetimidate (CAS 65125-36-2), with molecular formula C11H13ClN6O4 and molecular weight 328.07 g/mol. IUPAC: ethyl 2-[(5-azido-2-nitrobenzoyl)amino]ethanimidate;hydrochloride.
Chemical Property Profile of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate
Property Insights of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate
The XLogP value of 2.70197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-5-azido-2-nitrobenzoylaminoacetimidate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-5-azido-2-nitrobenzoylaminoacetimidate. Following Lipinski's Rule of Five, ethyl N-5-azido-2-nitrobenzoylaminoacetimidate has 3 hydrogen bond donor(s) and 7 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-5-azido-2-nitrobenzoylaminoacetimidate?
The CAS number of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate is 65125-36-2.
What is the molecular formula of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate?
The molecular formula of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate is C11H13ClN6O4.
What is the molecular weight of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate?
The molecular weight of ethyl N-5-azido-2-nitrobenzoylaminoacetimidate is 328.07 g/mol.
Where can I buy ethyl N-5-azido-2-nitrobenzoylaminoacetimidate?
You can request a quote for ethyl N-5-azido-2-nitrobenzoylaminoacetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-5-azido-2-nitrobenzoylaminoacetimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-5-azido-2-nitrobenzoylaminoacetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.