3N-004
TL;DR: 3N-004 (CAS 120445-85-4) is a chemical compound with molecular formula C9H10ClN3O and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-chlorophenyl)ethylideneamino]urea
Also Known As: 4'-chloroacetophenone semicarbazone, [(E)-[1-(4-chlorophenyl)ethylidene]amino]urea, [(E)-1-(4-chlorophenyl)ethylideneamino]urea, 4 -Chloroacetophenonesemicarbazone, {[1-(4-chlorophenyl)ethylidene]amino}urea
| Molecular Formula | C9H10ClN3O |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.7323 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.05124 |
| Heavy Atoms | 14 |
| Complexity | 358.82474 |
Chemical Identifiers
| CAS Number | 120445-85-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)N)/C1=CC=C(C=C1)Cl |
Product Overview
3N-004 (CAS 120445-85-4), with molecular formula C9H10ClN3O and molecular weight 211.05 g/mol. IUPAC: [(E)-1-(4-chlorophenyl)ethylideneamino]urea.
Chemical Property Profile of 3N-004
Property Insights of 3N-004
The XLogP value of 1.7323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3N-004. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3N-004. Following Lipinski's Rule of Five, 3N-004 has 2 hydrogen bond donor(s) and 2 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 3N-004?
The CAS number of 3N-004 is 120445-85-4.
What is the molecular formula of 3N-004?
The molecular formula of 3N-004 is C9H10ClN3O.
What is the molecular weight of 3N-004?
The molecular weight of 3N-004 is 211.05 g/mol.
Where can I buy 3N-004?
You can request a quote for 3N-004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-004?
Yes, KEHONG BIO provides custom synthesis services for 3N-004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.