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CAS 61464-33-3 Z-ASP(OBZL)-OSU molecular structure lightbox
CAS RN: 61464-33-3

Z-ASP(OBZL)-OSU

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61464-33-3
  • Purity/Analytical Methods: >99.0%
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61464-33-3 / 4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)butanedioate

Standard CAS: 61464-33-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61464-33-3
Multi CAS
Yes
Molecular Formula
C23H22N2O8
Molecular Weight
454.400000
Exact Mass
454.137616
InChI
InChI=1S/C23H22N2O8/c26-19-11-12-20(27)25(19)33-22(29)18(13-21(28)31-14-16-7-3-1-4-8-16)24-23(30)32-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,30)/t18-/m0/s1
InChIKey
WCIMRCGAANBKFS-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
111.58
TPSA
128.31

LogP / Solubility

WLOGP
2.02
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-4.06

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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