![CAS 948595-04-8 (R)-2-[Bis(3,5-dimethylphenyl)methyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/948595-04-8.gif)
CAS RN: 948595-04-8
(R)-2-[Bis(3,5-dimethylphenyl)methyl]pyrrolidine
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.20260208 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS948595-04-8
- Purity/Analytical Methods: >99.0%
948595-04-8 / (2R)-2-[bis(3,5-dimethylphenyl)methyl]pyrrolidine
Basic Information
CAS
948595-04-8
Multi CAS
Yes
Molecular Formula
C21H27N
Molecular Weight
293.400000
Exact Mass
293.214350
InChI
InChI=1S/C21H27N/c1-14-8-15(2)11-18(10-14)21(20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20-22H,5-7H2,1-4H3/t20-/m1/s1
InChIKey
PHKHWUVAUXBNPC-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
94.7
TPSA
12.03
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
5.2
Consensus LogP
4.75
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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