N-Butyl-N'-nicotinoylurea
TL;DR: N-Butyl-N'-nicotinoylurea (CAS 14008-58-3) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(butylcarbamoyl)pyridine-3-carboxamide
Also Known As: N-Butyl-N'-nicotinoylurea, 1-Butyl-3-nicotinoylurea, Urea, 1-butyl-3-nicotinoyl-, N-Nicotinoyl-N'-n-butylharnstoff, N-Butyl-N/'-nicotinoylurea
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 14008-58-3 |
|---|---|
| SMILES | CCCCNC(=O)NC(=O)C1=CN=CC=C1 |
| InChIKey | SKYVSYULPOEPOO-UHFFFAOYSA-N |
Product Overview
N-Butyl-N'-nicotinoylurea (CAS 14008-58-3), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: N-(butylcarbamoyl)pyridine-3-carboxamide.
Chemical Property Profile of N-Butyl-N'-nicotinoylurea
Property Insights of N-Butyl-N'-nicotinoylurea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N'-nicotinoylurea. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-N'-nicotinoylurea. Following Lipinski's Rule of Five, N-Butyl-N'-nicotinoylurea has 2 hydrogen bond donor(s) and 3 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 N-Butyl-N'-nicotinoylurea?
The CAS number of N-Butyl-N'-nicotinoylurea is 14008-58-3.
What is the molecular formula of N-Butyl-N'-nicotinoylurea?
The molecular formula of N-Butyl-N'-nicotinoylurea is C11H15N3O2.
What is the molecular weight of N-Butyl-N'-nicotinoylurea?
The molecular weight of N-Butyl-N'-nicotinoylurea is 221.12 g/mol.
Where can I buy N-Butyl-N'-nicotinoylurea?
You can request a quote for N-Butyl-N'-nicotinoylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N'-nicotinoylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N'-nicotinoylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.