4,4'-Dinitrophenylcarbazide
TL;DR: 4,4'-Dinitrophenylcarbazide (CAS 622-69-5) is a chemical compound with molecular formula C13H12N6O5 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-nitroanilino)urea
Also Known As: 1,5-Bis(4-nitrophenyl)carbohydrazide, 1,3-bis(4-nitroanilino)urea, 4,4'-Dinitrophenylcarbazide, 1,3-bis[(4-nitrophenyl)amino]urea, CARBOHYDRAZIDE, 1,5-BIS(p-NITROPHENYL)-
| Molecular Formula | C13H12N6O5 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.1562 |
| Topological Polar Surface Area | 151.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.0869 |
| Heavy Atoms | 24 |
| Complexity | 682.9525 |
Chemical Identifiers
| CAS Number | 622-69-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NNC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,4'-Dinitrophenylcarbazide (CAS 622-69-5), with molecular formula C13H12N6O5 and molecular weight 332.09 g/mol. IUPAC: 1,3-bis(4-nitroanilino)urea.
Chemical Property Profile of 4,4'-Dinitrophenylcarbazide
Property Insights of 4,4'-Dinitrophenylcarbazide
The XLogP value of 2.1562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Dinitrophenylcarbazide. The TPSA of 151.47 Ų indicates high polarity, suggesting 4,4'-Dinitrophenylcarbazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Dinitrophenylcarbazide has 4 hydrogen bond donor(s) and 7 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 4,4'-Dinitrophenylcarbazide?
The CAS number of 4,4'-Dinitrophenylcarbazide is 622-69-5.
What is the molecular formula of 4,4'-Dinitrophenylcarbazide?
The molecular formula of 4,4'-Dinitrophenylcarbazide is C13H12N6O5.
What is the molecular weight of 4,4'-Dinitrophenylcarbazide?
The molecular weight of 4,4'-Dinitrophenylcarbazide is 332.09 g/mol.
Where can I buy 4,4'-Dinitrophenylcarbazide?
You can request a quote for 4,4'-Dinitrophenylcarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dinitrophenylcarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dinitrophenylcarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.