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CAS 30750-74-4 Boc-L-Aspartic anhydride molecular structure lightbox
CAS RN: 30750-74-4

Boc-L-Aspartic anhydride

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Batchno.20260131 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS30750-74-4
  • Purity/Analytical Methods: >99.0%
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30750-74-4 / tert-butyl N-(2,5-dioxooxolan-3-yl)carbamate

Standard CAS: 30750-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30750-74-4
Multi CAS
Yes
Molecular Formula
C9H13NO5
Molecular Weight
215.200000
Exact Mass
215.079373
InChI
InChI=1S/C9H13NO5/c1-9(2,3)15-8(13)10-5-4-6(11)14-7(5)12/h5H,4H2,1-3H3,(H,10,13)
InChIKey
NPSWWCAEJQQFGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.87
TPSA
81.7

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.35
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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