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CAS 75446-59-2 (BIPHENYL-4-CARBONYL)-AMINO]-ACETIC ACID molecular structure lightbox
CAS RN: 75446-59-2

(BIPHENYL-4-CARBONYL)-AMINO]-ACETIC ACID

  • Product code: SSC-184913
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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 75446-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

75446-59-2 / 2-[(4-phenylbenzoyl)amino]acetic acid

Standard CAS: 75446-59-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75446-59-2
Multi CAS
Yes
Molecular Formula
C15H13NO3
Molecular Weight
255.270000
Exact Mass
255.089543
InChI
InChI=1S/C15H13NO3/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKey
MYJXSDFBYVYUCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.85
TPSA
66.4

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.9
Consensus LogP
2.33
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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