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CAS 471-87-4 N,N-Dimethyl-L-proline molecular structure lightbox
CAS RN: 471-87-4

N,N-Dimethyl-L-proline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 10mg / 50mg / 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS471-87-4
  • Purity/Analytical Methods: >99.0%
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471-87-4 / (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

Standard CAS: 471-87-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
471-87-4
Multi CAS
Yes
Molecular Formula
C7H14NO2
Molecular Weight
144.190000
Exact Mass
144.102454
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-O

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.63
TPSA
37.3

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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