CAS RN: 5513-69-9
Z-GLY-PHE-NH2
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.20250303 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5513-69-9
- Purity/Analytical Methods: >99.0%
5513-69-9 / benzyl N-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
Basic Information
CAS
5513-69-9
Multi CAS
Yes
Molecular Formula
C19H21N3O4
Molecular Weight
355.400000
Exact Mass
355.153206
InChI
InChI=1S/C19H21N3O4/c20-18(24)16(11-14-7-3-1-4-8-14)22-17(23)12-21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,20,24)(H,21,25)(H,22,23)/t16-/m0/s1
InChIKey
QGZDXQHLEQAGJB-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.9
TPSA
110.52
LogP / Solubility
WLOGP
1.13
MLOGP
1.01
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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