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CAS 107449-13-8 HydroxylaMine, O-[1,1′-biphenyl]-2-yl- molecular structure lightbox
CAS RN: 107449-13-8

HydroxylaMine, O-[1,1′-biphenyl]-2-yl-

  • Product code: SSC-009022
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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 107449-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

107449-13-8 / O-(2-phenylphenyl)hydroxylamine

O-(2-biphenylyl)hydroxylamine | O-(2-phenylphenyl)hydroxylamine | HydroxylaMine, O-[1,1/'-biphenyl]-2-yl-

Standard CAS: 107449-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107449-13-8
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2ON
InChI
InChI=1S/C12H11NO/c13-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
IQMVFUWEIKAIFF-UHFFFAOYSA-N
Synonyms
O-(2-biphenylyl)hydroxylamine O-(2-phenylphenyl)hydroxylamine HydroxylaMine, O-[1,1/'-biphenyl]-2-yl- O-([1,1'-Biphenyl]-2-yl)hydroxylamine MFCD25955190

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.69
TPSA
35.25

LogP / Solubility

WLOGP
2.61
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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