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CAS 16874-12-7 L-Tyrosine tert-Butyl Ester molecular structure lightbox
CAS RN: 16874-12-7

L-Tyrosine tert-Butyl Ester

  • Product code: SSC-073504
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 1g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16874-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
1g ≥98% 4 In Stock Beijing Inquiry
100g ≥98% 1 In Stock Shenzhen Inquiry

16874-12-7 / tert-butyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Standard CAS: 16874-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16874-12-7
Multi CAS
No
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
SMILES
CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m0/s1
InChIKey
DIGHFXIWRPMGSA-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.63
TPSA
72.55

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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