![Propyl 4-[(2-bromoacetyl)amino]benzoate structure](/static/products/3491/349121-03-5.webp)
Propyl 4-[(2-bromoacetyl)amino]benzoate
TL;DR: Propyl 4-[(2-bromoacetyl)amino]benzoate (CAS 349121-03-5) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(2-bromoacetyl)amino]benzoate
Also Known As: Propyl 4-[(2-bromoacetyl)amino]benzoate, propyl 4-(2-bromoacetamido)benzoate
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.5868 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.01572 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 349121-03-5 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)CBr |
Product Overview
Propyl 4-[(2-bromoacetyl)amino]benzoate (CAS 349121-03-5), with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol. IUPAC: propyl 4-[(2-bromoacetyl)amino]benzoate.
Chemical Property Profile of Propyl 4-[(2-bromoacetyl)amino]benzoate
Property Insights of Propyl 4-[(2-bromoacetyl)amino]benzoate
The XLogP value of 2.5868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-[(2-bromoacetyl)amino]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Propyl 4-[(2-bromoacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-[(2-bromoacetyl)amino]benzoate has 1 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 Propyl 4-[(2-bromoacetyl)amino]benzoate?
The CAS number of Propyl 4-[(2-bromoacetyl)amino]benzoate is 349121-03-5.
What is the molecular formula of Propyl 4-[(2-bromoacetyl)amino]benzoate?
The molecular formula of Propyl 4-[(2-bromoacetyl)amino]benzoate is C12H14BrNO3.
What is the molecular weight of Propyl 4-[(2-bromoacetyl)amino]benzoate?
The molecular weight of Propyl 4-[(2-bromoacetyl)amino]benzoate is 299.02 g/mol.
Where can I buy Propyl 4-[(2-bromoacetyl)amino]benzoate?
You can request a quote for Propyl 4-[(2-bromoacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-[(2-bromoacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[(2-bromoacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.