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benzyl N-[(4-nitrophenyl)methyl]carbamate
TL;DR: benzyl N-[(4-nitrophenyl)methyl]carbamate (CAS 39896-94-1) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(4-nitrophenyl)methyl]carbamate
Also Known As: benzyl N-[(4-nitrophenyl)methyl]carbamate, benzyl 4-nitrobenzylcarbamate, 4-Nitrobenzylcarbamic acid benzyl ester, Benzyl [(4-nitrophenyl)methyl]carbamate, J1.452.277H
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 39896-94-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QHHZTTKULVMRKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzyl N-[(4-nitrophenyl)methyl]carbamate (CAS 39896-94-1), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: benzyl N-[(4-nitrophenyl)methyl]carbamate.
Chemical Property Profile of benzyl N-[(4-nitrophenyl)methyl]carbamate
Property Insights of benzyl N-[(4-nitrophenyl)methyl]carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-[(4-nitrophenyl)methyl]carbamate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-[(4-nitrophenyl)methyl]carbamate. Following Lipinski's Rule of Five, benzyl N-[(4-nitrophenyl)methyl]carbamate has 1 hydrogen bond donor(s) and 4 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 benzyl N-[(4-nitrophenyl)methyl]carbamate?
The CAS number of benzyl N-[(4-nitrophenyl)methyl]carbamate is 39896-94-1.
What is the molecular formula of benzyl N-[(4-nitrophenyl)methyl]carbamate?
The molecular formula of benzyl N-[(4-nitrophenyl)methyl]carbamate is C15H14N2O4.
What is the molecular weight of benzyl N-[(4-nitrophenyl)methyl]carbamate?
The molecular weight of benzyl N-[(4-nitrophenyl)methyl]carbamate is 286.10 g/mol.
Where can I buy benzyl N-[(4-nitrophenyl)methyl]carbamate?
You can request a quote for benzyl N-[(4-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 benzyl N-[(4-nitrophenyl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[(4-nitrophenyl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.