![1-[(4-Bromobenzoyl)amino]-3-butylurea structure](/static/products/4450/445013-90-1.webp)
1-[(4-Bromobenzoyl)amino]-3-butylurea
TL;DR: 1-[(4-Bromobenzoyl)amino]-3-butylurea (CAS 445013-90-1) is a chemical compound with molecular formula C12H16BrN3O2 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromobenzoyl)amino]-3-butylurea
Also Known As: 1-[(4-bromobenzoyl)amino]-3-butylurea, 4-bromo-N-[(butylcarbamoyl)amino]benzamide, 2-(4-bromobenzoyl)-N-butylhydrazinecarboxamide, (4-bromophenyl)-N-[(N-butylcarbamoyl)amino]carboxamide, 2-[(4-bromophenyl)carbonyl]-N-butylhydrazinecarboxamide
| Molecular Formula | C12H16BrN3O2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.1932 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0426 |
| Heavy Atoms | 18 |
| Complexity | 406.28848 |
Chemical Identifiers
| CAS Number | 445013-90-1 |
|---|---|
| SMILES | CCCCNC(=O)NNC(=O)C1=CC=C(C=C1)Br |
Product Overview
1-[(4-Bromobenzoyl)amino]-3-butylurea (CAS 445013-90-1), with molecular formula C12H16BrN3O2 and molecular weight 313.04 g/mol. IUPAC: 1-[(4-bromobenzoyl)amino]-3-butylurea.
Chemical Property Profile of 1-[(4-Bromobenzoyl)amino]-3-butylurea
Property Insights of 1-[(4-Bromobenzoyl)amino]-3-butylurea
The XLogP value of 2.1932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Bromobenzoyl)amino]-3-butylurea. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Bromobenzoyl)amino]-3-butylurea. Following Lipinski's Rule of Five, 1-[(4-Bromobenzoyl)amino]-3-butylurea has 3 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 1-[(4-Bromobenzoyl)amino]-3-butylurea?
The CAS number of 1-[(4-Bromobenzoyl)amino]-3-butylurea is 445013-90-1.
What is the molecular formula of 1-[(4-Bromobenzoyl)amino]-3-butylurea?
The molecular formula of 1-[(4-Bromobenzoyl)amino]-3-butylurea is C12H16BrN3O2.
What is the molecular weight of 1-[(4-Bromobenzoyl)amino]-3-butylurea?
The molecular weight of 1-[(4-Bromobenzoyl)amino]-3-butylurea is 313.04 g/mol.
Where can I buy 1-[(4-Bromobenzoyl)amino]-3-butylurea?
You can request a quote for 1-[(4-Bromobenzoyl)amino]-3-butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Bromobenzoyl)amino]-3-butylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Bromobenzoyl)amino]-3-butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.