CAS RN: 76264-07-8
Z-ALA-LYS-OH
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260327 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76264-07-8
- Purity/Analytical Methods: >99.0%
76264-07-8 / (2S)-6-azaniumyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate
Basic Information
CAS
76264-07-8
Multi CAS
Yes
Molecular Formula
C17H25N3O5
Molecular Weight
351.400000
Exact Mass
351.179421
InChI
InChI=1S/C17H25N3O5/c1-12(15(21)20-14(16(22)23)9-5-6-10-18)19-17(24)25-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t12-,14-/m0/s1
InChIKey
RQMDMYNAXPFMCC-JSGCOSHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
87.77
TPSA
135.2
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.91
XLogP3
-0.7
Consensus LogP
-0.89
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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