4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid
TL;DR: 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid (CAS 199535-10-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid
Also Known As: Benzoic acid, 4-(acetylamino)-3-(3-hydroxy-1-propen-1-yl)-
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 199535-10-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)C=CCO |
| InChIKey | SFASECAOFLKLNP-UHFFFAOYSA-N |
Product Overview
4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid (CAS 199535-10-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid.
Chemical Property Profile of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid
Property Insights of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid. Following Lipinski's Rule of Five, 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid has 3 hydrogen bond donor(s) and 4 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-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid?
The CAS number of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid is 199535-10-9.
What is the molecular formula of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid?
The molecular formula of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid is C12H13NO4.
What is the molecular weight of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid?
The molecular weight of 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid is 235.08 g/mol.
Where can I buy 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid?
You can request a quote for 4-Acetamido-3-(3-hydroxyprop-1-enyl)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-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-3-(3-hydroxyprop-1-enyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.