![CAS 949894-57-9 L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-2-propyn-1-yl-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/949894-57-9.gif)
CAS RN: 949894-57-9
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-2-propyn-1-yl-, methyl ester
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.20250615 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS949894-57-9
- Purity/Analytical Methods: >99.0%
949894-57-9 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-ynoxyphenyl)propanoate
Basic Information
CAS
949894-57-9
Multi CAS
Yes
Molecular Formula
C18H23NO5
Molecular Weight
333.400000
Exact Mass
333.157623
InChI
InChI=1S/C18H23NO5/c1-6-11-23-14-9-7-13(8-10-14)12-15(16(20)22-5)19-17(21)24-18(2,3)4/h1,7-10,15H,11-12H2,2-5H3,(H,19,21)/t15-/m0/s1
InChIKey
FHECJNHLEHWVDU-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.65
TPSA
73.86
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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