CAS RN: 57732-63-5
Z-Glu(OMe)-OtBu
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.20250320 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57732-63-5
- Purity/Analytical Methods: >99.0%
57732-63-5 / 1-O-tert-butyl 5-O-methyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate
Basic Information
CAS
57732-63-5
Multi CAS
Yes
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-16(21)14(10-11-15(20)23-4)19-17(22)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKey
TWPGMFKIQWDGKB-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.65
TPSA
90.93
LogP / Solubility
WLOGP
2.58
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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