Difemerine
TL;DR: Difemerine (CAS 39494-10-5) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate
Also Known As: Difemerine, Difemerinum, Difemerino, difemerin, difemerina
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 39494-10-5 |
|---|---|
| SMILES | CC(C)(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(C)C |
| InChIKey | GUONSMXZEYTWML-UHFFFAOYSA-N |
Product Overview
Difemerine (CAS 39494-10-5), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: [2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Difemerine
Property Insights of Difemerine
The XLogP value of 3.3 indicates that Difemerine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Difemerine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difemerine has 1 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 Difemerine?
The CAS number of Difemerine is 39494-10-5.
What is the molecular formula of Difemerine?
The molecular formula of Difemerine is C20H25NO3.
What is the molecular weight of Difemerine?
The molecular weight of Difemerine is 327.18 g/mol.
Where can I buy Difemerine?
You can request a quote for Difemerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difemerine?
Yes, KEHONG BIO provides custom synthesis services for Difemerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.