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CAS 1080-06-4 L-Tyrosine Methyl Ester molecular structure lightbox
CAS RN: 1080-06-4

L-Tyrosine Methyl Ester

  • Product code: SSC-009308
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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, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 8
  • 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 1080-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g -- 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Hong Kong Inquiry
25g -- 4 In Stock Shenzhen Inquiry
500g -- 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry
1000g ≥98% 0 Out of Stock Hong Kong Inquiry

1080-06-4 / methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Methyl L-tyrosinate | Tyrosine methyl ester | WR2XY2Y23P

Standard CAS: 1080-06-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1080-06-4
Multi CAS
Yes
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
InChIKey
MWZPENIJLUWBSY-VIFPVBQESA-N
Synonyms
Methyl L-tyrosinate Tyrosine methyl ester WR2XY2Y23P CHEBI:17215 DTXSID40148354

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.8
TPSA
72.55

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-3.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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