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CAS 943134-39-2 (2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 943134-39-2

(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 10mg Out of stock Inquiry
Batchno.20250203 1mg In stock Shanghai Inquiry
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Batchno.20251016 50mg Out of stock Inquiry
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  • Product code: starshine_CAS943134-39-2
  • Purity/Analytical Methods: >99.0%
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943134-39-2 / (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid

Standard CAS: 943134-39-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943134-39-2
Multi CAS
Yes
Molecular Formula
C14H17N3O4
Molecular Weight
291.300000
Exact Mass
291.121906
InChI
InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1
InChIKey
BIZKIHUJGMSVFD-MNOVXSKESA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
74.5
TPSA
112.73

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.49
XLogP3
-2.7
Consensus LogP
-1.25
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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