Roxadimate
TL;DR: Roxadimate (CAS 58882-17-0) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[bis(2-hydroxypropyl)amino]benzoate
Also Known As: Roxadimate, Roxadimato, Roxadimatum, Ethyl dihydroxypropyl PABA, AMERSCREEN P
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 58882-17-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CC(C)O)CC(C)O |
| InChIKey | CBZHHQOZZQEZNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxadimate (CAS 58882-17-0), with molecular formula C15H23NO4 and molecular weight 281.16 g/mol. IUPAC: ethyl 4-[bis(2-hydroxypropyl)amino]benzoate.
Chemical Property Profile of Roxadimate
Property Insights of Roxadimate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roxadimate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxadimate. Following Lipinski's Rule of Five, Roxadimate has 2 hydrogen bond donor(s) and 5 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 Roxadimate?
The CAS number of Roxadimate is 58882-17-0.
What is the molecular formula of Roxadimate?
The molecular formula of Roxadimate is C15H23NO4.
What is the molecular weight of Roxadimate?
The molecular weight of Roxadimate is 281.16 g/mol.
Where can I buy Roxadimate?
You can request a quote for Roxadimate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxadimate?
Yes, KEHONG BIO provides custom synthesis services for Roxadimate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.