CAS RN: 188398-87-0
(S)-2-Diphenylmethylpyrrolidine (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.20250223 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS188398-87-0
- Purity/Analytical Methods: >99.0%
188398-87-0 / (2S)-2-benzhydrylpyrrolidine;hydrochloride
Basic Information
CAS
188398-87-0
Multi CAS
No
Molecular Formula
C17H20ClN
Molecular Weight
273.800000
Exact Mass
273.128427
SMILES
C1C[C@H](NC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C17H19N.ClH/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;/h1-6,8-11,16-18H,7,12-13H2;1H/t16-;/m0./s1
InChIKey
KTGRJTGIWVDSKZ-NTISSMGPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83
TPSA
12.03
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.99
Consensus LogP
3.83
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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