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CAS 481052-60-2 O-(2-Bromoethyl)-L-tyrosine HCl molecular structure lightbox
CAS RN: 481052-60-2

O-(2-Bromoethyl)-L-tyrosine HCl

  • Product code: SSC-155074
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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: 0.1g
  • 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 481052-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

481052-60-2 / (2S)-2-amino-3-[4-(2-bromoethoxy)phenyl]propanoic acid

Standard CAS: 481052-60-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
481052-60-2
Multi CAS
Yes
Molecular Formula
BC11H14O3Rn
Molecular Weight
288.140000
Exact Mass
287.015710
InChI
InChI=1S/C11H14BrNO3.ClH/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15;/h1-4,10H,5-7,13H2,(H,14,15);1H/t10-;/m0./s1
InChIKey
HSSDZAPNYYCZMQ-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.05
TPSA
72.55

LogP / Solubility

WLOGP
1.41
MLOGP
1.26
XLogP3
-0.4
Consensus LogP
0.76
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

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

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