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CAS 131180-63-7 (S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine molecular structure lightbox
CAS RN: 131180-63-7

(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250122 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250605 1g In stock Shanghai Inquiry
Batchno.20250716 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250903 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260219 25g Out of stock Inquiry
Batchno.20260621 5g In stock Shanghai Inquiry
  • Product code: SSC-037902
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131180-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

131180-63-7 / bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol

Standard CAS: 131180-63-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131180-63-7
Multi CAS
No
Molecular Formula
C21H27NO
Molecular Weight
309.400000
Exact Mass
309.209264
SMILES
CC1=CC(=CC(=C1)C([C@@H]2CCCN2)(C3=CC(=CC(=C3)C)C)O)C
InChI
InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1
InChIKey
MXIOBZPVLNQGIU-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.86
TPSA
32.26

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
4.1
Consensus LogP
3.82
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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