CAS RN: 296778-55-7
(S)-ethyl 4-(tert-butoxycarbonyl)-4-phenylbutanoate
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.20250917 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS296778-55-7
- Purity/Analytical Methods: >99.0%
296778-55-7 / ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
Basic Information
CAS
296778-55-7
Multi CAS
Yes
Molecular Formula
C17H25NO4
Molecular Weight
307.400000
Exact Mass
307.178358
InChI
InChI=1S/C17H25NO4/c1-5-21-15(19)12-11-14(13-9-7-6-8-10-13)18-16(20)22-17(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKey
AYYSJWRLLGIPHD-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.42
TPSA
64.63
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3
Consensus LogP
3.26
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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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