CAS RN: 854306-72-2
Tolterodine DiMer IMpurity
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.20250608 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS854306-72-2
- Purity/Analytical Methods: >99.0%
854306-72-2 / 2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
Basic Information
CAS
854306-72-2
Multi CAS
No
Molecular Formula
C35H41NO2
Molecular Weight
507.700000
Exact Mass
507.313730
InChI
InChI=1S/C35H41NO2/c1-25(2)36(21-19-30(28-11-7-5-8-12-28)32-23-26(3)15-17-34(32)37)22-20-31(29-13-9-6-10-14-29)33-24-27(4)16-18-35(33)38/h5-18,23-25,30-31,37-38H,19-22H2,1-4H3
InChIKey
OVJNATACTARGSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
158.2
TPSA
43.7
LogP / Solubility
WLOGP
8.17
MLOGP
7.23
XLogP3
8.6
Consensus LogP
8
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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