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CAS 604003-91-0 H2N-L-PRO-OME molecular structure lightbox
CAS RN: 604003-91-0

H2N-L-PRO-OME

  • Product code: SSC-168994
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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: 1g
  • Available purity: ＞95%
  • 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 604003-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

604003-91-0 / methyl (2S)-1-aminopyrrolidine-2-carboxylate

Standard CAS: 604003-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
604003-91-0
Multi CAS
No
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
InChI
InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-8(5)7/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKey
GPTHYJZLMPEXPV-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.93
TPSA
55.56

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.45
XLogP3
0.5
Consensus LogP
-0.15
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.96

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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