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CAS 16323-00-5 Ethyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate molecular structure lightbox
CAS RN: 16323-00-5

Ethyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate

  • Product code: SSC-070902
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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 16323-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16323-00-5 / ethyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate

Standard CAS: 16323-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16323-00-5
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CCOC(=O)C(C)(CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C12H17NO3/c1-3-16-11(15)12(2,13)8-9-4-6-10(14)7-5-9/h4-7,14H,3,8,13H2,1-2H3
InChIKey
LTBRGLHBHNJNHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.04
TPSA
72.55

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.4
Consensus LogP
1.23
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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