CAS RN: 7469-23-0
N-BENZOYL-DL-THREONINE
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.20250908 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7469-23-0
- Purity/Analytical Methods: >99.0%
7469-23-0 / 2-benzamido-3-hydroxybutanoic acid
Basic Information
CAS
7469-23-0
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)
InChIKey
IOQIWWTVXOPYQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.01
TPSA
86.63
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
0.6
Consensus LogP
0.36
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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