4,4'-Dinitrocarbanilide
TL;DR: 4,4'-Dinitrocarbanilide (CAS 587-90-6) is a chemical compound with molecular formula C13H10N4O5 and molecular weight 302.06512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(4-nitrophenyl)urea
Also Known As: 1,3-Bis(4-nitrophenyl)urea, 4,4'-Dinitrocarbanilide, 4,4'-Dinitrodiphenylurea, Nicarbazin, Urea, N,N'-bis(4-nitrophenyl)-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10N4O5 |
| Molecular Weight | 302.06512 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.06512 Da |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JEZZOKXIXNSKQD-UHFFFAOYSA-N |
Product Description
Applications: 4,4'-Dinitrocarbanilide is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 4,4'-Dinitrocarbanilide (CAS 587-90-6) has the molecular formula C13H10N4O5 and a molecular weight of 302.07 g/mol. Synonyms include 1,3-Bis(4-nitrophenyl)urea and 4,4'-Dinitrocarbanilide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4,4'-Dinitrocarbanilide
Property Insights of 4,4'-Dinitrocarbanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Dinitrocarbanilide. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dinitrocarbanilide. Following Lipinski's Rule of Five, 4,4'-Dinitrocarbanilide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4'-Dinitrocarbanilide?
The CAS number of 4,4'-Dinitrocarbanilide is 587-90-6.
What is the molecular formula of 4,4'-Dinitrocarbanilide?
The molecular formula of 4,4'-Dinitrocarbanilide is C13H10N4O5.
What is the molecular weight of 4,4'-Dinitrocarbanilide?
The molecular weight of 4,4'-Dinitrocarbanilide is 302.06512 g/mol.
What are the applications of 4,4'-Dinitrocarbanilide?
4,4'-Dinitrocarbanilide is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy 4,4'-Dinitrocarbanilide?
You can request a quote for 4,4'-Dinitrocarbanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Dinitrocarbanilide?
Yes, CoreyChem provides custom synthesis services for 4,4'-Dinitrocarbanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.