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CAS 1604-54-2 N-TRIFLUOROACETYL-L-TYROSINE METHYL ESTER molecular structure lightbox
CAS RN: 1604-54-2

N-TRIFLUOROACETYL-L-TYROSINE METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-068395
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1604-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1604-54-2 / methyl (2S)-3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Standard CAS: 1604-54-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1604-54-2
Multi CAS
No
Molecular Formula
C12H12F3NO4
Molecular Weight
291.220000
Exact Mass
291.071842
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C12H12F3NO4/c1-20-10(18)9(16-11(19)12(13,14)15)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3,(H,16,19)/t9-/m0/s1
InChIKey
RPUGHMMKNNBUQA-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.81
TPSA
75.63

LogP / Solubility

WLOGP
1.15
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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