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CAS 987-84-8 Z-GLU-PHE-OH molecular structure lightbox
CAS RN: 987-84-8

Z-GLU-PHE-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS987-84-8
  • Purity/Analytical Methods: >99.0%
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987-84-8 / 5-[(1-carboxy-2-phenylethyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 987-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
987-84-8
Multi CAS
Yes
Molecular Formula
C22H24N2O7
Molecular Weight
428.400000
Exact Mass
428.158351
InChI
InChI=1S/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)
InChIKey
ZORDBMVWKMEZAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
4
Molar refractivity
110.13
TPSA
142.03

LogP / Solubility

WLOGP
1.96
MLOGP
1.75
XLogP3
1.3
Consensus LogP
1.67
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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