4-Nitrophenyl hydrogen benzylcarbonimidate
TL;DR: 4-Nitrophenyl hydrogen benzylcarbonimidate (CAS 124068-97-9) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) N-benzylcarbamate
Also Known As: 4-Nitro-phenyl-N-benzylcarbamate, 4-Nitrophenyl benzylcarbamate, (4-nitrophenyl) N-benzylcarbamate, 4-Nitrophenyl N-benzylcarbamate, 4-Nitrophenylbenzylcarbamate
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 124068-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | OCAOEODBVXZHNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl hydrogen benzylcarbonimidate (CAS 124068-97-9), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: (4-nitrophenyl) N-benzylcarbamate.
Chemical Property Profile of 4-Nitrophenyl hydrogen benzylcarbonimidate
Property Insights of 4-Nitrophenyl hydrogen benzylcarbonimidate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl hydrogen benzylcarbonimidate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl hydrogen benzylcarbonimidate. Following Lipinski's Rule of Five, 4-Nitrophenyl hydrogen benzylcarbonimidate 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 4-Nitrophenyl hydrogen benzylcarbonimidate?
The CAS number of 4-Nitrophenyl hydrogen benzylcarbonimidate is 124068-97-9.
What is the molecular formula of 4-Nitrophenyl hydrogen benzylcarbonimidate?
The molecular formula of 4-Nitrophenyl hydrogen benzylcarbonimidate is C14H12N2O4.
What is the molecular weight of 4-Nitrophenyl hydrogen benzylcarbonimidate?
The molecular weight of 4-Nitrophenyl hydrogen benzylcarbonimidate is 272.08 g/mol.
Where can I buy 4-Nitrophenyl hydrogen benzylcarbonimidate?
You can request a quote for 4-Nitrophenyl hydrogen benzylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl hydrogen benzylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl hydrogen benzylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.