(对-(对硝基苯氨基)苯基)异氰酸
TL;DR: (对-(对硝基苯氨基)苯基)异氰酸 (CAS 62967-27-5) is a chemical compound with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(对-(对硝基苯氨基)苯基)异氰酸
4-isocyanato-N-(4-nitrophenyl)aniline
Also Known As: 11-Octadecenoyl alcohol, 4-Isocyano-4'-nitrodiphenylamine, 4-isocyanato-N-(4-nitrophenyl)aniline, (p-(p-Nitroanilino)phenyl)isocyanic acid, 4-Isocyanato-N-(4-nitrophenyl)benzenamine
| Molecular Formula | C13H9N3O3 |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.06439 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 62967-27-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])N=C=O |
| InChIKey | QSGQZDCTAJVFHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(对-(对硝基苯氨基)苯基)异氰酸 (CAS 62967-27-5), with molecular formula C13H9N3O3 and molecular weight 255.06 g/mol. IUPAC: 4-isocyanato-N-(4-nitrophenyl)aniline.
Chemical Property Profile of (对-(对硝基苯氨基)苯基)异氰酸
Property Insights of (对-(对硝基苯氨基)苯基)异氰酸
The XLogP value of 4.6 indicates that (对-(对硝基苯氨基)苯基)异氰酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (对-(对硝基苯氨基)苯基)异氰酸. Following Lipinski's Rule of Five, (对-(对硝基苯氨基)苯基)异氰酸 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 (对-(对硝基苯氨基)苯基)异氰酸?
The CAS number of (对-(对硝基苯氨基)苯基)异氰酸 is 62967-27-5.
What is the molecular formula of (对-(对硝基苯氨基)苯基)异氰酸?
The molecular formula of (对-(对硝基苯氨基)苯基)异氰酸 is C13H9N3O3.
What is the molecular weight of (对-(对硝基苯氨基)苯基)异氰酸?
The molecular weight of (对-(对硝基苯氨基)苯基)异氰酸 is 255.06 g/mol.
Where can I buy (对-(对硝基苯氨基)苯基)异氰酸?
You can request a quote for (对-(对硝基苯氨基)苯基)异氰酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (对-(对硝基苯氨基)苯基)异氰酸?
Yes, KEHONG BIO provides custom synthesis services for (对-(对硝基苯氨基)苯基)异氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.