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CAS 141900-23-4 Boc-3-methoxy-L-tyrosine molecular structure lightbox
CAS RN: 141900-23-4

Boc-3-methoxy-L-tyrosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS141900-23-4
  • Purity/Analytical Methods: >99.0%
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141900-23-4 / (2S)-3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 141900-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141900-23-4
Multi CAS
No
Molecular Formula
C15H21NO6
Molecular Weight
311.330000
Exact Mass
311.136887
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)OC)C(=O)O
InChI
InChI=1S/C15H21NO6/c1-15(2,3)22-14(20)16-10(13(18)19)7-9-5-6-11(17)12(8-9)21-4/h5-6,8,10,17H,7H2,1-4H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKey
DVQDNEXWFJBUAV-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.16
TPSA
105.09

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly 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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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