CAS RN: 17460-56-9
Z-D-PHE-PRO-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS17460-56-9
- Purity/Analytical Methods: >99.0%
17460-56-9 / (2S)-1-[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
17460-56-9
Multi CAS
No
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
SMILES
C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H24N2O5/c25-20(24-13-7-12-19(24)21(26)27)18(14-16-8-3-1-4-9-16)23-22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,28)(H,26,27)/t18-,19+/m1/s1
InChIKey
SLQMUASKUOLVIO-MOPGFXCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.07
TPSA
95.94
LogP / Solubility
WLOGP
2.6
MLOGP
2.31
XLogP3
3.1
Consensus LogP
2.67
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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
Yes
Log Kp (skin permeation)
-3.29
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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