Diphenyl (5-nitro-1,3-phenylene)biscarbamate
TL;DR: Diphenyl (5-nitro-1,3-phenylene)biscarbamate (CAS 58200-05-8) is a chemical compound with molecular formula C20H15N3O6 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[3-nitro-5-(phenoxycarbonylamino)phenyl]carbamate
Also Known As: Diphenyl (5-nitro-1,3-phenylene)biscarbamate, phenyl N-[3-nitro-5-(phenoxycarbonylamino)phenyl]carbamate
| Molecular Formula | C20H15N3O6 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.0961 |
| Heavy Atoms | 29 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 58200-05-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)OC3=CC=CC=C3 |
| InChIKey | AVMZSMNLDCKAQY-UHFFFAOYSA-N |
Product Overview
Diphenyl (5-nitro-1,3-phenylene)biscarbamate (CAS 58200-05-8), with molecular formula C20H15N3O6 and molecular weight 393.10 g/mol. IUPAC: phenyl N-[3-nitro-5-(phenoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of Diphenyl (5-nitro-1,3-phenylene)biscarbamate
Property Insights of Diphenyl (5-nitro-1,3-phenylene)biscarbamate
The XLogP value of 4.0 indicates that Diphenyl (5-nitro-1,3-phenylene)biscarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl (5-nitro-1,3-phenylene)biscarbamate. Following Lipinski's Rule of Five, Diphenyl (5-nitro-1,3-phenylene)biscarbamate has 2 hydrogen bond donor(s) and 6 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 Diphenyl (5-nitro-1,3-phenylene)biscarbamate?
The CAS number of Diphenyl (5-nitro-1,3-phenylene)biscarbamate is 58200-05-8.
What is the molecular formula of Diphenyl (5-nitro-1,3-phenylene)biscarbamate?
The molecular formula of Diphenyl (5-nitro-1,3-phenylene)biscarbamate is C20H15N3O6.
What is the molecular weight of Diphenyl (5-nitro-1,3-phenylene)biscarbamate?
The molecular weight of Diphenyl (5-nitro-1,3-phenylene)biscarbamate is 393.10 g/mol.
Where can I buy Diphenyl (5-nitro-1,3-phenylene)biscarbamate?
You can request a quote for Diphenyl (5-nitro-1,3-phenylene)biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl (5-nitro-1,3-phenylene)biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl (5-nitro-1,3-phenylene)biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.