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CAS 853180-09-3 (R)-3-Phenyl-2-(1-pyrrolidinyl)-1-propanol molecular structure lightbox
CAS RN: 853180-09-3

(R)-3-Phenyl-2-(1-pyrrolidinyl)-1-propanol

  • Product code: SSC-193671
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 853180-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

853180-09-3 / 3-phenyl-2-pyrrolidin-1-ylpropan-1-ol

Standard CAS: 853180-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
853180-09-3
Multi CAS
Yes
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
InChI
InChI=1S/C13H19NO/c15-11-13(14-8-4-5-9-14)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
InChIKey
BHXUQFUAJAYUGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.83
TPSA
23.47

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
2.1
Consensus LogP
1.76
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.78

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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