CAS RN: 2365-53-9
AC-PHE-TYR-OH
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.20250901 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2365-53-9
- Purity/Analytical Methods: >99.0%
2365-53-9 / 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Basic Information
CAS
2365-53-9
Multi CAS
No
Molecular Formula
C20H22N2O5
Molecular Weight
370.400000
Exact Mass
370.152872
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H22N2O5/c1-13(23)21-17(11-14-5-3-2-4-6-14)19(25)22-18(20(26)27)12-15-7-9-16(24)10-8-15/h2-10,17-18,24H,11-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)/t17-,18-/m0/s1
InChIKey
AGHAPAFOMGHXMT-ROUUACIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
99.13
TPSA
115.73
LogP / Solubility
WLOGP
1.25
MLOGP
1.12
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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