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CAS 762233-34-1 1-benzyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 762233-34-1

1-benzyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS762233-34-1
  • Purity/Analytical Methods: >99.0%
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762233-34-1 / 1-O-benzyl 2-O-methyl 4-aminopyrrolidine-1,2-dicarboxylate

Standard CAS: 762233-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
762233-34-1
Multi CAS
Yes
Molecular Formula
C14H18N2O4
Molecular Weight
278.300000
Exact Mass
278.126657
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-7-11(15)8-16(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3
InChIKey
DMYAHNRIJNKMAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.73
TPSA
81.86

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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