CAS RN: 1185241-83-1
DPPE FUMARATE
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260625 | 10mg / 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185241-83-1
- Purity/Analytical Methods: >99.0%
1185241-83-1 / 2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid
DPPE FUMARATE | Tesmilifene fumarate | DPPEFumarate
Basic Information
CAS
1185241-83-1
Multi CAS
Yes
Molecular Formula
C23H29NO5
Molecular Weight
399.500000
Exact Mass
399.204573
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C19H25NO.C4H4O4/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
ZOOMDYHTGZSGDD-WLHGVMLRSA-N
Synonyms
DPPE FUMARATE
Tesmilifene fumarate
DPPEFumarate
Tesmilifene (fumarate)
2-(4-benzylphenoxy)-N,N-diethylethanamine;(E)-but-2-enedioic acid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.38
TPSA
87.07
LogP / Solubility
WLOGP
3.71
MLOGP
3.29
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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