Disofenin
TL;DR: Disofenin (CAS 65717-97-7) is a chemical compound with molecular formula C18H26N2O5 and molecular weight 350.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid
Also Known As: Disofenin, Disofenine, Disofeninum, Disofenino, diacetic acid
| Molecular Formula | C18H26N2O5 |
|---|---|
| Molecular Weight | 350.18 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.18417 |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 65717-97-7 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN(CC(=O)O)CC(=O)O |
| InChIKey | UDUSOMRJOPCWHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disofenin (CAS 65717-97-7), with molecular formula C18H26N2O5 and molecular weight 350.18 g/mol. IUPAC: 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid.
Chemical Property Profile of Disofenin
Property Insights of Disofenin
The XLogP value of -0.6 indicates that Disofenin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disofenin. Following Lipinski's Rule of Five, Disofenin has 3 hydrogen bond donor(s) and 6 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 Disofenin?
The CAS number of Disofenin is 65717-97-7.
What is the molecular formula of Disofenin?
The molecular formula of Disofenin is C18H26N2O5.
What is the molecular weight of Disofenin?
The molecular weight of Disofenin is 350.18 g/mol.
Where can I buy Disofenin?
You can request a quote for Disofenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disofenin?
Yes, KEHONG BIO provides custom synthesis services for Disofenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.