CAS RN: 25471-67-4
N-DesMethyl-benztropine Hydrochloride
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.20260313 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25471-67-4
- Purity/Analytical Methods: >99.0%
25471-67-4 / (1S,5R)-3-benzhydryloxy-8-azabicyclo[3.2.1]octane;hydrochloride
Basic Information
CAS
25471-67-4
Multi CAS
No
Molecular Formula
C20H24ClNO
Molecular Weight
329.900000
Exact Mass
329.154642
SMILES
C1C[C@H]2CC(C[C@@H]1N2)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C20H23NO.ClH/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-19-13-17-11-12-18(14-19)21-17;/h1-10,17-21H,11-14H2;1H/t17-,18+,19?;
InChIKey
BFYHSYWBHUBSGQ-FMJRHHGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.03
TPSA
21.26
LogP / Solubility
WLOGP
4.5
MLOGP
3.97
XLogP3
4.5
Consensus LogP
4.32
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
