CAS RN: 58177-77-8
BOC-ALA-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.20251218 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58177-77-8
- Purity/Analytical Methods: >99.0%
58177-77-8 / tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
58177-77-8
Multi CAS
Yes
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
InChI
InChI=1S/C12H23NO4/c1-8(9(14)16-11(2,3)4)13-10(15)17-12(5,6)7/h8H,1-7H3,(H,13,15)/t8-/m0/s1
InChIKey
QIARYQWAMYNMRX-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.68
TPSA
64.63
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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