![CAS 53755-02-5 N-[3’,4’-Dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53755-02-5.gif)
CAS RN: 53755-02-5
N-[3’,4’-Dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine
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.20250816 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53755-02-5
- Purity/Analytical Methods: >99.0%
53755-02-5 / (2S)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]propanoic acid
Basic Information
CAS
53755-02-5
Multi CAS
Yes
Molecular Formula
C18H17NO7
Molecular Weight
359.300000
Exact Mass
359.100502
InChI
InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+/t12-/m0/s1
InChIKey
GPZFXSWMDFBRGS-UXONFWTHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
91.85
TPSA
147.32
LogP / Solubility
WLOGP
1.33
MLOGP
1.19
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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