CAS RN: 342793-00-4

L-Proline, 1-(1-methylethyl)- (9CI)

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Batchno.20251009 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS342793-00-4
  • Purity/Analytical Methods: >99.0%
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342793-00-4 / 1-propan-2-ylpyrrolidine-2-carboxylic acid

Standard CAS: 342793-00-4 Multi CAS: Yes

Basic Information

CAS
342793-00-4
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey
CKPAOPWAVKSUPQ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.5
TPSA
40.54

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
-1.1
Consensus LogP
0.22
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.01

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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