CAS RN: 52421-48-4
DL-N-BENZOYL-2-BENZYLSERINE
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.20250524 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52421-48-4
- Purity/Analytical Methods: >99.0%
52421-48-4 / 2-benzamido-2-benzyl-3-hydroxypropanoic acid
Basic Information
CAS
52421-48-4
Multi CAS
Yes
Molecular Formula
C17H17NO4
Molecular Weight
299.320000
Exact Mass
299.115758
InChI
InChI=1S/C17H17NO4/c19-12-17(16(21)22,11-13-7-3-1-4-8-13)18-15(20)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,18,20)(H,21,22)/p-1
InChIKey
LKEOXPPWIMAHCM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
81.51
TPSA
86.63
LogP / Solubility
WLOGP
1.47
MLOGP
1.31
XLogP3
1.9
Consensus LogP
1.56
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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