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Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate
TL;DR: Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate (CAS 35559-12-7) is a chemical compound with molecular formula C10H11N3O4 and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(3-nitrophenyl)methylideneamino]carbamate
Also Known As: ethyl N-[(3-nitrophenyl)methylideneamino]carbamate, Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate, Hydrazinecarboxylicacid, 2-[(3-nitrophenyl)methylene]-, ethyl ester
| Molecular Formula | C10H11N3O4 |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.07495 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 35559-12-7 |
|---|---|
| SMILES | CCOC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | CQWPMNIIIQFFKB-UHFFFAOYSA-N |
Product Overview
Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate (CAS 35559-12-7), with molecular formula C10H11N3O4 and molecular weight 237.07 g/mol. IUPAC: ethyl N-[(3-nitrophenyl)methylideneamino]carbamate.
Chemical Property Profile of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate
Property Insights of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate. Following Lipinski's Rule of Five, Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate has 1 hydrogen bond donor(s) and 5 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 hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate?
The CAS number of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate is 35559-12-7.
What is the molecular formula of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate?
The molecular formula of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate is C10H11N3O4.
What is the molecular weight of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate?
The molecular weight of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate is 237.07 g/mol.
Where can I buy Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate?
You can request a quote for Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.