![3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid structure](/static/products/7089/708997-88-0.webp)
3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid
TL;DR: 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid (CAS 708997-88-0) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromo-2-prop-2-enoxyphenyl)methylamino]benzoic acid
Also Known As: 3-{[2-(Allyloxy)-5-bromobenzyl]amino}, AP-970/42166907, 3-{[2-(allyloxy)-5-bromobenzyl]amino}benzoic acid, 3-(2-Allyloxy-5-bromo-benzylamino)-benzoic acid, 3-[(5-bromo-2-prop-2-enoxyphenyl)methylamino]benzoic acid
| Molecular Formula | C17H16BrNO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 4.3242 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.03137 |
| Heavy Atoms | 22 |
| Complexity | 685.3543 |
Chemical Identifiers
| CAS Number | 708997-88-0 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)Br)CNC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid (CAS 708997-88-0), with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol. IUPAC: 3-[(5-bromo-2-prop-2-enoxyphenyl)methylamino]benzoic acid.
Chemical Property Profile of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid
Property Insights of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid
The XLogP value of 4.3242 indicates that 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[2-(Allyloxy)-5-bromobenzyl]amino}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 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid?
The CAS number of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid is 708997-88-0.
What is the molecular formula of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid?
The molecular formula of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid is C17H16BrNO3.
What is the molecular weight of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid?
The molecular weight of 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid is 361.03 g/mol.
Where can I buy 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid?
You can request a quote for 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(Allyloxy)-5-bromobenzyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.