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CAS 107903-42-4 O-2-propenyl-Tyrosine molecular structure lightbox
CAS RN: 107903-42-4

O-2-propenyl-Tyrosine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009224
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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 107903-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

107903-42-4 / (2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoic acid

3-(4-(Allyloxy)phenyl)-2-aminopropanoic acid | O-2-propenyl-Tyrosine | MFCD32595036

Standard CAS: 107903-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107903-42-4
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
C=CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C12H15NO3/c1-2-7-16-10-5-3-9(4-6-10)8-11(13)12(14)15/h2-6,11H,1,7-8,13H2,(H,14,15)/t11-/m0/s1
InChIKey
PHUOJEKTSKQBNT-NSHDSACASA-N
Synonyms
3-(4-(Allyloxy)phenyl)-2-aminopropanoic acid O-2-propenyl-Tyrosine MFCD32595036 3-[4-(Allyloxy)phenyl]-2-aminopropanoic Acid SCHEMBL524638

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.45
TPSA
72.55

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
-0.5
Consensus LogP
0.59
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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