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CAS 109960-55-6 ((S)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol molecular structure lightbox
CAS RN: 109960-55-6

((S)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011209
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 109960-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

109960-55-6 / [(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol

(1-(1-phenylethyl)pyrrolidin-3-yl)methanol | [1-(1-phenylethyl)pyrrolidin-3-yl]methanol | SCHEMBL5453145

Standard CAS: 109960-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109960-55-6
Multi CAS
Yes
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
C[C@H](C1=CC=CC=C1)N2CC[C@@H](C2)CO
InChI
InChI=1S/C13H19NO/c1-11(13-5-3-2-4-6-13)14-8-7-12(9-14)10-15/h2-6,11-12,15H,7-10H2,1H3/t11-,12+/m1/s1
InChIKey
RQTYGPRJDFTUGU-NEPJUHHUSA-N
Synonyms
(1-(1-phenylethyl)pyrrolidin-3-yl)methanol [1-(1-phenylethyl)pyrrolidin-3-yl]methanol SCHEMBL5453145 RQTYGPRJDFTUGU-UHFFFAOYSA-N (1-phenylethyl)-3-pyrrolidinemethanol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.62
TPSA
23.47

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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