2-bromo-N-propylacetamide
TL;DR: 2-bromo-N-propylacetamide (CAS 6087-16-7) is a chemical compound with molecular formula C5H10BrNO and molecular weight 178.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-propylacetamide
Also Known As: 2-Bromo-N-propylacetamide, Belumosudil Impurity 14, N-Propyl-2-bromoacetamide, 2-bromo-N-propyl-acetamide, Bromo-N-propylethanimidic acid
| Molecular Formula | C5H10BrNO |
|---|---|
| Molecular Weight | 178.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.99458 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 6087-16-7 |
|---|---|
| SMILES | CCCNC(=O)CBr |
| InChIKey | KOQUCXISMHTDMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-bromo-N-propylacetamide (CAS 6087-16-7), with molecular formula C5H10BrNO and molecular weight 178.99 g/mol. IUPAC: 2-bromo-N-propylacetamide.
Chemical Property Profile of 2-bromo-N-propylacetamide
Property Insights of 2-bromo-N-propylacetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-propylacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-bromo-N-propylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-propylacetamide has 1 hydrogen bond donor(s) and 1 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 2-bromo-N-propylacetamide?
The CAS number of 2-bromo-N-propylacetamide is 6087-16-7.
What is the molecular formula of 2-bromo-N-propylacetamide?
The molecular formula of 2-bromo-N-propylacetamide is C5H10BrNO.
What is the molecular weight of 2-bromo-N-propylacetamide?
The molecular weight of 2-bromo-N-propylacetamide is 178.99 g/mol.
Where can I buy 2-bromo-N-propylacetamide?
You can request a quote for 2-bromo-N-propylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-propylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-propylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.