4-(Acetylamino)benzylphosphonate
TL;DR: 4-(Acetylamino)benzylphosphonate (CAS 84803-47-4) is a chemical compound with molecular formula C9H12NO4P and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl)methylphosphonic acid
Also Known As: p-Aabp, 4-(Acetylamino)benzylphosphonate, para-(Acetylamino)benzylphosphonate, [4-(acetylamino)benzyl]phosphonic acid, (4-acetamidophenyl)methylphosphonic acid
| Molecular Formula | C9H12NO4P |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0504 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 84803-47-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)CP(=O)(O)O |
| InChIKey | DNUQPWAYLJSQOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetylamino)benzylphosphonate (CAS 84803-47-4), with molecular formula C9H12NO4P and molecular weight 229.05 g/mol. IUPAC: (4-acetamidophenyl)methylphosphonic acid.
Chemical Property Profile of 4-(Acetylamino)benzylphosphonate
Property Insights of 4-(Acetylamino)benzylphosphonate
The XLogP value of -0.7 indicates that 4-(Acetylamino)benzylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)benzylphosphonate. Following Lipinski's Rule of Five, 4-(Acetylamino)benzylphosphonate 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-(Acetylamino)benzylphosphonate?
The CAS number of 4-(Acetylamino)benzylphosphonate is 84803-47-4.
What is the molecular formula of 4-(Acetylamino)benzylphosphonate?
The molecular formula of 4-(Acetylamino)benzylphosphonate is C9H12NO4P.
What is the molecular weight of 4-(Acetylamino)benzylphosphonate?
The molecular weight of 4-(Acetylamino)benzylphosphonate is 229.05 g/mol.
Where can I buy 4-(Acetylamino)benzylphosphonate?
You can request a quote for 4-(Acetylamino)benzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)benzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)benzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.