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CAS 233689-24-2 L-Tyrosine, O-[2-(dimethylamino)ethyl]-N-[(1,1-dimethylethoxy)carbonyl]- molecular structure lightbox
CAS RN: 233689-24-2

L-Tyrosine, O-[2-(dimethylamino)ethyl]-N-[(1,1-dimethylethoxy)carbonyl]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS233689-24-2
  • Purity/Analytical Methods: >99.0%
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233689-24-2 / (2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 233689-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233689-24-2
Multi CAS
No
Molecular Formula
C18H28N2O5
Molecular Weight
352.400000
Exact Mass
352.199822
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCCN(C)C)C(=O)O
InChI
InChI=1S/C18H28N2O5/c1-18(2,3)25-17(23)19-15(16(21)22)12-13-6-8-14(9-7-13)24-11-10-20(4)5/h6-9,15H,10-12H2,1-5H3,(H,19,23)(H,21,22)/t15-/m0/s1
InChIKey
RCZJZYCYUGRGNH-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
94.99
TPSA
88.1

LogP / Solubility

WLOGP
2.15
MLOGP
1.91
XLogP3
0.2
Consensus LogP
1.42
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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
No
Log Kp (skin permeation)
-3.35

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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