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CAS 112068-01-6 (S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol molecular structure lightbox
CAS RN: 112068-01-6

(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250707 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251013 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260416 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250111 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260101 500g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250113 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250409 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-012565
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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, 10g, 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 112068-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry
100g ≥98% 1 In Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

112068-01-6 / diphenyl-[(2S)-pyrrolidin-2-yl]methanol

Diphenylprolinol | 54U9UN7HN4 | diphenyl-2-pyrrolidinyl-methanol

Standard CAS: 112068-01-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112068-01-6
Multi CAS
Yes
Molecular Formula
C17H19NO
Molecular Weight
253.340000
Exact Mass
253.146664
SMILES
C1C[C@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1
InChIKey
OGCGXUGBDJGFFY-INIZCTEOSA-N
Synonyms
Diphenylprolinol 54U9UN7HN4 diphenyl-2-pyrrolidinyl-methanol RefChem:920415 diphenyl(pyrrolidin-2-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.91
TPSA
32.26

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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