![CAS 92507-32-9 L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92507-32-9.gif)
CAS RN: 92507-32-9
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-, methyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS92507-32-9
- Purity/Analytical Methods: >99.0%
92507-32-9 / methyl (2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
92507-32-9
Multi CAS
No
Molecular Formula
C17H25NO5
Molecular Weight
323.400000
Exact Mass
323.173273
InChI
InChI=1S/C17H25NO5/c1-6-22-13-9-7-12(8-10-13)11-14(15(19)21-5)18-16(20)23-17(2,3)4/h7-10,14H,6,11H2,1-5H3,(H,18,20)/t14-/m0/s1
InChIKey
VGKSLUCEBDAQDR-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.49
TPSA
73.86
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
