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CAS 201292-99-1 AC-TYR(TBU)-OH molecular structure lightbox
CAS RN: 201292-99-1

AC-TYR(TBU)-OH

  • Product code: SSC-094961
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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: 5g
  • Available purity: ＞97%
  • 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 201292-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

201292-99-1 / (2S)-2-acetamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Standard CAS: 201292-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201292-99-1
Multi CAS
No
Molecular Formula
C15H21NO4
Molecular Weight
279.330000
Exact Mass
279.147058
SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H21NO4/c1-10(17)16-13(14(18)19)9-11-5-7-12(8-6-11)20-15(2,3)4/h5-8,13H,9H2,1-4H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKey
JLNUTWJSFBIAAS-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.77
TPSA
75.63

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
1.1
Consensus LogP
1.62
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-3.01

Drug-likeness / Medicinal Chemistry

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

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