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CAS 155666-33-4 2-AMINO-4-BENZYLOXY-5-METHOXY-BENZOIC ACID molecular structure lightbox
CAS RN: 155666-33-4

2-AMINO-4-BENZYLOXY-5-METHOXY-BENZOIC ACID

  • Product code: SSC-064908
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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: ≥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 155666-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

155666-33-4 / 2-amino-5-methoxy-4-phenylmethoxybenzoic acid

Standard CAS: 155666-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155666-33-4
Multi CAS
No
Molecular Formula
C15H15NO4
Molecular Weight
273.280000
Exact Mass
273.100108
SMILES
COC1=C(C=C(C(=C1)C(=O)O)N)OCC2=CC=CC=C2
InChI
InChI=1S/C15H15NO4/c1-19-13-7-11(15(17)18)12(16)8-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9,16H2,1H3,(H,17,18)
InChIKey
CYJFMVXMHCGPSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.14
TPSA
81.78

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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