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CAS 7479-01-8 methyl 2-amino-3-(4-methoxyphenyl)propanoate molecular structure lightbox
CAS RN: 7479-01-8

methyl 2-amino-3-(4-methoxyphenyl)propanoate

  • Product code: SSC-184249
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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 7479-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

7479-01-8 / methyl 2-amino-3-(4-methoxyphenyl)propanoate

Standard CAS: 7479-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7479-01-8
Multi CAS
Yes
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1
InChIKey
CDCIQNBPLQWUQS-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.69
TPSA
61.55

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
1.2
Consensus LogP
0.86
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.47

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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