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CAS 18822-59-8 O-tert-Butyl-L-tyrosine molecular structure lightbox
CAS RN: 18822-59-8

O-tert-Butyl-L-tyrosine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-087561
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • 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 18822-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shanghai Inquiry

18822-59-8 / (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Standard CAS: 18822-59-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18822-59-8
Multi CAS
No
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKey
SNZIFNXFAFKRKT-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.14
TPSA
72.55

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
-0.2
Consensus LogP
1.07
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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