CAS RN: 36546-50-6
N-Acetyl-L-tyrosine Ethyl Ester Monohydrate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai, Guangdong | Inquiry |
- Product code: ICTA0118
- Purity/Analytical Methods: >98.0%(HPLC)(N)
36546-50-6 / ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
Basic Information
CAS
36546-50-6
Multi CAS
Yes
Molecular Formula
C13H19NO5
Molecular Weight
269.290000
Exact Mass
269.126323
InChI
InChI=1S/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2
InChIKey
YWAVLHZJMWEYTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.66
TPSA
107.13
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-4.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
Ethyl 1-Benzyl-3-oxo-4-piperidinecarboxylate Hydrochloride
- CAS RN: 52763-21-0
- Product Code: SSC-159880
-
-
-
