CAS RN: 21754-25-6
Cyclo(Tyr-Val)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250725 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21754-25-6
- Purity/Analytical Methods: >99.0%
21754-25-6 / (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
Basic Information
CAS
21754-25-6
Multi CAS
No
Molecular Formula
C14H18N2O3
Molecular Weight
262.300000
Exact Mass
262.131742
SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O
InChI
InChI=1S/C14H18N2O3/c1-8(2)12-14(19)15-11(13(18)16-12)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7H2,1-2H3,(H,15,19)(H,16,18)
InChIKey
LMDVFSHGYANGRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
70.51
TPSA
78.43
LogP / Solubility
WLOGP
0.57
MLOGP
0.51
XLogP3
1.7
Consensus LogP
0.93
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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