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CAS 61596-47-2 Z-PRO-D-LEU-OH molecular structure lightbox
CAS RN: 61596-47-2

Z-PRO-D-LEU-OH

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS61596-47-2
  • Purity/Analytical Methods: >99.0%
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61596-47-2 / (2R)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoic acid

Standard CAS: 61596-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61596-47-2
Multi CAS
Yes
Molecular Formula
C19H26N2O5
Molecular Weight
362.400000
Exact Mass
362.184172
InChI
InChI=1S/C19H26N2O5/c1-13(2)11-15(18(23)24)20-17(22)16-9-6-10-21(16)19(25)26-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,22)(H,23,24)/t15-,16+/m1/s1
InChIKey
YCYXUKRYYSXSLJ-CVEARBPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.38
TPSA
95.94

LogP / Solubility

WLOGP
2.4
MLOGP
2.13
XLogP3
1.8
Consensus LogP
2.11
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

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

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