[email protected]
CAS 74798-59-7 1-Benzyl-2-(2-hydroxyisopropyl)pyrrolidine molecular structure lightbox
CAS RN: 74798-59-7

1-Benzyl-2-(2-hydroxyisopropyl)pyrrolidine

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74798-59-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

74798-59-7 / 2-(1-benzylpyrrolidin-2-yl)propan-2-ol

Standard CAS: 74798-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74798-59-7
Multi CAS
No
Molecular Formula
C14H21NO
Molecular Weight
219.320000
Exact Mass
219.162314
InChI
InChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3
InChIKey
FUNFYSOGTPDVRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.17
TPSA
23.47

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us