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CAS 265108-42-7 (3R,4S)-rel-4-Methyl-3-Pyrrolidinol hydrochloride (Relative struc) molecular structure lightbox
CAS RN: 265108-42-7

(3R,4S)-rel-4-Methyl-3-Pyrrolidinol hydrochloride (Relative struc)

  • Product code: SSC-124456
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 265108-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry

265108-42-7 / (3R,4S)-4-methylpyrrolidin-3-ol;hydrochloride

Standard CAS: 265108-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265108-42-7
Multi CAS
No
Molecular Formula
C5H12ClNO
Molecular Weight
137.610000
Exact Mass
137.060742
SMILES
C[C@H]1CNC[C@@H]1O.Cl
InChI
InChI=1S/C5H11NO.ClH/c1-4-2-6-3-5(4)7;/h4-7H,2-3H2,1H3;1H/t4-,5-;/m0./s1
InChIKey
VBEGDUJNLVSIES-FHAQVOQBSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.29
TPSA
32.26

LogP / Solubility

WLOGP
0.01
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very 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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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