4-(4-(2-Bromoacetamido)butyl)benzoic acid
TL;DR: 4-(4-(2-Bromoacetamido)butyl)benzoic acid (CAS 10173-34-9) is a chemical compound with molecular formula C13H16BrNO3 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid
Also Known As: 4-(4-(2-Bromoacetamido)butyl)benzoic acid, 4-{4-[(bromoacetyl)amino]butyl}benzoic acid, 4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid, EX-A7621, 1,3-Benzodioxole,5-nitro-6-propyl
| Molecular Formula | C13H16BrNO3 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.03137 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 10173-34-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCNC(=O)CBr)C(=O)O |
| InChIKey | WZQJLTLURXNPQG-UHFFFAOYSA-N |
Product Overview
4-(4-(2-Bromoacetamido)butyl)benzoic acid (CAS 10173-34-9), with molecular formula C13H16BrNO3 and molecular weight 313.03 g/mol. IUPAC: 4-[4-[(2-bromoacetyl)amino]butyl]benzoic acid.
Chemical Property Profile of 4-(4-(2-Bromoacetamido)butyl)benzoic acid
Property Insights of 4-(4-(2-Bromoacetamido)butyl)benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(2-Bromoacetamido)butyl)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(2-Bromoacetamido)butyl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-(2-Bromoacetamido)butyl)benzoic acid 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 4-(4-(2-Bromoacetamido)butyl)benzoic acid?
The CAS number of 4-(4-(2-Bromoacetamido)butyl)benzoic acid is 10173-34-9.
What is the molecular formula of 4-(4-(2-Bromoacetamido)butyl)benzoic acid?
The molecular formula of 4-(4-(2-Bromoacetamido)butyl)benzoic acid is C13H16BrNO3.
What is the molecular weight of 4-(4-(2-Bromoacetamido)butyl)benzoic acid?
The molecular weight of 4-(4-(2-Bromoacetamido)butyl)benzoic acid is 313.03 g/mol.
Where can I buy 4-(4-(2-Bromoacetamido)butyl)benzoic acid?
You can request a quote for 4-(4-(2-Bromoacetamido)butyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(2-Bromoacetamido)butyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(2-Bromoacetamido)butyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.