1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea
TL;DR: 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea (CAS 680212-57-1) is a chemical compound with molecular formula C12H15ClN4O3 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-3-piperidin-1-ylurea
Also Known As: 1-(4-chloro-3-nitrophenyl)-3-piperidin-1-ylurea, N-(4-chloro-3-nitrophenyl)-N'-piperidinourea, 3-(4-chloro-3-nitrophenyl)-1-(piperidin-1-yl)urea
| Molecular Formula | C12H15ClN4O3 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.7706 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08328 |
| Heavy Atoms | 20 |
| Complexity | 517.42395 |
Chemical Identifiers
| CAS Number | 680212-57-1 |
|---|---|
| SMILES | C1CCN(CC1)NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea (CAS 680212-57-1), with molecular formula C12H15ClN4O3 and molecular weight 298.08 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-3-piperidin-1-ylurea.
Chemical Property Profile of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea
Property Insights of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea
The XLogP value of 2.7706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea has 2 hydrogen bond donor(s) and 4 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 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea?
The CAS number of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea is 680212-57-1.
What is the molecular formula of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea?
The molecular formula of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea is C12H15ClN4O3.
What is the molecular weight of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea?
The molecular weight of 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea is 298.08 g/mol.
Where can I buy 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea?
You can request a quote for 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrophenyl)-3-piperidin-1-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.