![CAS 123418-41-7 L-Tyrosine, 3,5-dichloro-N-[(1,1-dimethylethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123418-41-7.gif)
CAS RN: 123418-41-7
L-Tyrosine, 3,5-dichloro-N-[(1,1-dimethylethoxy)carbonyl]-
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.20250110 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS123418-41-7
- Purity/Analytical Methods: >99.0%
123418-41-7 / (2S)-3-(3,5-dichloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
123418-41-7
Multi CAS
No
Molecular Formula
C14H17Cl2NO5
Molecular Weight
350.200000
Exact Mass
349.048378
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O
InChI
InChI=1S/C14H17Cl2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m0/s1
InChIKey
GRNLRGVZPAASPS-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
82.62
TPSA
95.86
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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
Yes
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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