CAS RN: 903529-16-8
ethyl 2-(benzamidomethyl)-3-hydroxybutanoate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE926795
903529-16-8 / ethyl 2-(benzamidomethyl)-3-hydroxybutanoate
Basic Information
CAS
903529-16-8
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
InChI
InChI=1S/C14H19NO4/c1-3-19-14(18)12(10(2)16)9-15-13(17)11-7-5-4-6-8-11/h4-8,10,12,16H,3,9H2,1-2H3,(H,15,17)
InChIKey
GIRBMFYSMBEDOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.58
TPSA
75.63
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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