DU 28412
TL;DR: DU 28412 (CAS 86971-01-9) is a chemical compound with molecular formula C22H28F3N3O5S and molecular weight 503.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
Also Known As: Acetamide, 2-phenoxy-N-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, monomethanesulfonate, 2-phenoxy-n-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide methanesulfonate(1:1), methanesulfonicacid,2-phenoxy-N-[2-[4-[3- phenyl]piperazin-1-yl]ethyl]acetamide, methanesulfonic acid,2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide, Methanesulfonic acid--2-phenoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide (1/1)
| Molecular Formula | C22H28F3N3O5S |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | 2.5266 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.17017 |
| Heavy Atoms | 34 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 86971-01-9 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1CCNC(=O)COC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | FOIDXFCCCSNNOK-UHFFFAOYSA-N |
Product Overview
DU 28412 (CAS 86971-01-9), with molecular formula C22H28F3N3O5S and molecular weight 503.17 g/mol. IUPAC: methanesulfonic acid;2-phenoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide.
Chemical Property Profile of DU 28412
Property Insights of DU 28412
The XLogP value of 2.5266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DU 28412. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DU 28412. Following Lipinski's Rule of Five, DU 28412 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DU 28412?
The CAS number of DU 28412 is 86971-01-9.
What is the molecular formula of DU 28412?
The molecular formula of DU 28412 is C22H28F3N3O5S.
What is the molecular weight of DU 28412?
The molecular weight of DU 28412 is 503.17 g/mol.
Where can I buy DU 28412?
You can request a quote for DU 28412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DU 28412?
Yes, KEHONG BIO provides custom synthesis services for DU 28412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.