3-bromo-N-(phenylcarbamoyl)propanamide
TL;DR: 3-bromo-N-(phenylcarbamoyl)propanamide (CAS 90841-26-2) is a chemical compound with molecular formula C10H11BrN2O2 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(phenylcarbamoyl)propanamide
Also Known As: 3-bromo-N-(phenylcarbamoyl)propanamide, 3-Bromo-N-[hydroxy(phenylimino)methyl]propanimidic acid, 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethy
| Molecular Formula | C10H11BrN2O2 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0004 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 90841-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=O)CCBr |
| InChIKey | DDVWQECCHILQCW-UHFFFAOYSA-N |
Product Overview
3-bromo-N-(phenylcarbamoyl)propanamide (CAS 90841-26-2), with molecular formula C10H11BrN2O2 and molecular weight 270.00 g/mol. IUPAC: 3-bromo-N-(phenylcarbamoyl)propanamide.
Chemical Property Profile of 3-bromo-N-(phenylcarbamoyl)propanamide
Property Insights of 3-bromo-N-(phenylcarbamoyl)propanamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-(phenylcarbamoyl)propanamide. With a topological polar surface area (TPSA) of 58.2 Ų, 3-bromo-N-(phenylcarbamoyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(phenylcarbamoyl)propanamide 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 3-bromo-N-(phenylcarbamoyl)propanamide?
The CAS number of 3-bromo-N-(phenylcarbamoyl)propanamide is 90841-26-2.
What is the molecular formula of 3-bromo-N-(phenylcarbamoyl)propanamide?
The molecular formula of 3-bromo-N-(phenylcarbamoyl)propanamide is C10H11BrN2O2.
What is the molecular weight of 3-bromo-N-(phenylcarbamoyl)propanamide?
The molecular weight of 3-bromo-N-(phenylcarbamoyl)propanamide is 270.00 g/mol.
Where can I buy 3-bromo-N-(phenylcarbamoyl)propanamide?
You can request a quote for 3-bromo-N-(phenylcarbamoyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(phenylcarbamoyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(phenylcarbamoyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.