CAS RN: 23210-56-2
Ifenprodil
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23210-56-2
- Purity/Analytical Methods: >99.0%
23210-56-2 / 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Basic Information
CAS
23210-56-2
Multi CAS
No
Molecular Formula
C21H27NO2
Molecular Weight
325.400000
Exact Mass
325.204179
SMILES
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
InChIKey
UYNVMODNBIQBMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.97
TPSA
43.7
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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