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CAS 59830-60-3 CBZ-L-PHENYLALANINAL molecular structure lightbox
CAS RN: 59830-60-3

CBZ-L-PHENYLALANINAL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS59830-60-3
  • Purity/Analytical Methods: >99.0%
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59830-60-3 / benzyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate

Standard CAS: 59830-60-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59830-60-3
Multi CAS
Yes
Molecular Formula
C17H17NO3
Molecular Weight
283.320000
Exact Mass
283.120843
InChI
InChI=1S/C17H17NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1
InChIKey
HZDPJHOWPIVWMR-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.76
TPSA
55.4

LogP / Solubility

WLOGP
2.72
MLOGP
2.41
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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