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CAS 17852-28-7 2-amino-5-methylbenzophenone molecular structure lightbox
CAS RN: 17852-28-7

2-amino-5-methylbenzophenone

  • Product code: SSC-079351
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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 17852-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17852-28-7 / (2-amino-5-methylphenyl)-phenylmethanone

Standard CAS: 17852-28-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17852-28-7
Multi CAS
No
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
SMILES
CC1=CC(=C(C=C1)N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKey
MZPDVYDLHYUTQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.47
TPSA
43.09

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

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

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