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CAS 98841-68-0 N-(2-HYDROXYBENZOYL)PYRROLIDINE 97 molecular structure lightbox
CAS RN: 98841-68-0

N-(2-HYDROXYBENZOYL)PYRROLIDINE 97

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98841-68-0
  • Purity/Analytical Methods: >99.0%
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98841-68-0 / (2-hydroxyphenyl)-pyrrolidin-1-ylmethanone

Standard CAS: 98841-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98841-68-0
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
InChI
InChI=1S/C11H13NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
InChIKey
LELBEJMWNJWJDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.24
TPSA
40.54

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
2.1
Consensus LogP
1.72
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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