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CAS 63658-16-2 (Z)-Methyl 2-(tert-butoxycarbonylaMino)but-2-enoate molecular structure lightbox
CAS RN: 63658-16-2

(Z)-Methyl 2-(tert-butoxycarbonylaMino)but-2-enoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS63658-16-2
  • Purity/Analytical Methods: >99.0%
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63658-16-2 / methyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

Standard CAS: 63658-16-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63658-16-2
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
InChI
InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6H,1-5H3,(H,11,13)/b7-6-
InChIKey
MYYHIDZJUDGETM-SREVYHEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.14
TPSA
64.63

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.91

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
1.5

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