![CAS 2276402-03-8 L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O,2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2276402-03-8.gif)
CAS RN: 2276402-03-8
L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O,2-dimethyl-
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.20260521 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2276402-03-8
- Purity/Analytical Methods: >99.0%
2276402-03-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxy-2-methylphenyl)propanoic acid
Basic Information
CAS
2276402-03-8
Multi CAS
No
Molecular Formula
C26H25NO5
Molecular Weight
431.500000
Exact Mass
431.173273
SMILES
CC1=C(C=CC(=C1)OC)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c1-16-13-18(31-2)12-11-17(16)14-24(25(28)29)27-26(30)32-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23-24H,14-15H2,1-2H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
GMPLGOWYBXOWHU-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.06
TPSA
84.86
LogP / Solubility
WLOGP
4.54
MLOGP
4.02
XLogP3
5
Consensus LogP
4.52
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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