CAS RN: 925221-88-1
(R)-3-(3-HYDROXY-4-METHOXYPHENYL)-BETA-ALANINE
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.20250913 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS925221-88-1
- Purity/Analytical Methods: >99.0%
925221-88-1 / 3-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
Basic Information
CAS
925221-88-1
Multi CAS
Yes
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
InChI
InChI=1S/C10H13NO4/c1-15-9-3-2-6(4-8(9)12)7(11)5-10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)/t7-/m1/s1
InChIKey
MVPHRWQFARWHIX-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.84
TPSA
92.78
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
-2.4
Consensus LogP
-0.25
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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