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CAS 76804-64-3 L-Proline, 3,3-dimethyl- molecular structure lightbox
CAS RN: 76804-64-3

L-Proline, 3,3-dimethyl-

  • Product code: SSC-186229
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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: 0.1g, 0.25g, 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 76804-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

76804-64-3 / (2S)-3,3-dimethylpyrrolidine-2-carboxylic acid

Standard CAS: 76804-64-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76804-64-3
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-7(2)3-4-8-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKey
JQFLYFRHDIHZFZ-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.82
TPSA
49.33

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-1.5
Consensus LogP
-0.21
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.27

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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