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CAS 52235-17-3 Z-D-LEU-ONP molecular structure lightbox
CAS RN: 52235-17-3

Z-D-LEU-ONP

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS52235-17-3
  • Purity/Analytical Methods: >99.0%
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52235-17-3 / (4-nitrophenyl) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Standard CAS: 52235-17-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52235-17-3
Multi CAS
Yes
Molecular Formula
C20H22N2O6
Molecular Weight
386.400000
Exact Mass
386.147786
InChI
InChI=1S/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKey
UALXQWNUXKECJD-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.74
TPSA
107.77

LogP / Solubility

WLOGP
3.84
MLOGP
3.4
XLogP3
4.5
Consensus LogP
3.91
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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