CAS RN: 262361-54-6
N-Me-Tyr-OH·HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS262361-54-6
- Purity/Analytical Methods: >99.0%
262361-54-6 / (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
Basic Information
CAS
262361-54-6
Multi CAS
No
Molecular Formula
C10H14ClNO3
Molecular Weight
231.670000
Exact Mass
231.066221
SMILES
CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O.Cl
InChI
InChI=1S/C10H13NO3.ClH/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7;/h2-5,9,11-12H,6H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKey
LIDVIUGMMFTRSD-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.54
TPSA
69.56
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
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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