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CAS 57092-52-1 Z-PHE-PHE-PHE-OH molecular structure lightbox
CAS RN: 57092-52-1

Z-PHE-PHE-PHE-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS57092-52-1
  • Purity/Analytical Methods: >99.0%
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57092-52-1 / (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoic acid

Standard CAS: 57092-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57092-52-1
Multi CAS
Yes
Molecular Formula
C35H35N3O6
Molecular Weight
593.700000
Exact Mass
593.252586
InChI
InChI=1S/C35H35N3O6/c39-32(37-31(34(41)42)23-27-17-9-3-10-18-27)29(21-25-13-5-1-6-14-25)36-33(40)30(22-26-15-7-2-8-16-26)38-35(43)44-24-28-19-11-4-12-20-28/h1-20,29-31H,21-24H2,(H,36,40)(H,37,39)(H,38,43)(H,41,42)/t29-,30-,31-/m0/s1
InChIKey
BQDHGVWUXAXFMT-CHQNGUEUSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
4
Molar refractivity
165.49
TPSA
133.83

LogP / Solubility

WLOGP
4.06
MLOGP
3.62
XLogP3
4.7
Consensus LogP
4.13
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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