ethyl ester, oxime
TL;DR: ethyl ester, oxime (CAS 82585-59-9) is a chemical compound with molecular formula C16H18N6O5 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[6-amino-4-[(2-hydroxyimino-2-phenylethyl)amino]-5-nitro-2-pyridinyl]carbamate
Also Known As: ethyl ester, oxime, ethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-2-phenylethyl]amino, ethyl N-[6-amino-4-[(2-hydroxyimino-2-phenylethyl)amino]-5-nitropyridin-2-yl]carbamate
| Molecular Formula | C16H18N6O5 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.13388 |
| Heavy Atoms | 27 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 82585-59-9 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C(C(=C1)NCC(=NO)C2=CC=CC=C2)[N+](=O)[O-])N |
| InChIKey | QXHCZOFUMQWCPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl ester, oxime (CAS 82585-59-9), with molecular formula C16H18N6O5 and molecular weight 374.13 g/mol. IUPAC: ethyl N-[6-amino-4-[(2-hydroxyimino-2-phenylethyl)amino]-5-nitro-2-pyridinyl]carbamate.
Chemical Property Profile of ethyl ester, oxime
Property Insights of ethyl ester, oxime
The XLogP value of 3.4 indicates that ethyl ester, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting ethyl ester, oxime may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl ester, oxime has 4 hydrogen bond donor(s) and 9 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 ester, oxime?
The CAS number of ethyl ester, oxime is 82585-59-9.
What is the molecular formula of ethyl ester, oxime?
The molecular formula of ethyl ester, oxime is C16H18N6O5.
What is the molecular weight of ethyl ester, oxime?
The molecular weight of ethyl ester, oxime is 374.13 g/mol.
Where can I buy ethyl ester, oxime?
You can request a quote for ethyl ester, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl ester, oxime?
Yes, KEHONG BIO provides custom synthesis services for ethyl ester, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.