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CAS 218602-27-8 (3S)-4,4-diMethyl-3-Pyrrolidinol molecular structure lightbox
CAS RN: 218602-27-8

(3S)-4,4-diMethyl-3-Pyrrolidinol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260210 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-105330
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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: ≥95%
  • 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 218602-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

218602-27-8 / (3S)-4,4-dimethylpyrrolidin-3-ol

Standard CAS: 218602-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218602-27-8
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CC1(CNC[C@H]1O)C
InChI
InChI=1S/C6H13NO/c1-6(2)4-7-3-5(6)8/h5,7-8H,3-4H2,1-2H3/t5-/m1/s1
InChIKey
CUVTUAIJKLXTRO-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.66
TPSA
32.26

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.02
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

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