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CAS 43229-66-9 Ethanone, 2-[[2-(4-Methoxyphenyl)-1-Methylethyl](phenylMethyl)aMino]-1-[3-nitro-4-(phenylMethoxy)phenyl]- molecular structure lightbox
CAS RN: 43229-66-9

Ethanone, 2-[[2-(4-Methoxyphenyl)-1-Methylethyl](phenylMethyl)aMino]-1-[3-nitro-4-(phenylMethoxy)phenyl]-

  • Product code: SSC-151538
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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 43229-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

43229-66-9 / 2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanone

Standard CAS: 43229-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
43229-66-9
Multi CAS
No
Molecular Formula
C32H32N2O5
Molecular Weight
524.600000
Exact Mass
524.231122
InChI
InChI=1S/C32H32N2O5/c1-24(19-25-13-16-29(38-2)17-14-25)33(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(20-28)34(36)37)39-23-27-11-7-4-8-12-27/h3-18,20,24H,19,21-23H2,1-2H3
InChIKey
GYWPAIAUFMGISM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
13
H-bond acceptors
6
Molar refractivity
151.21
TPSA
81.91

LogP / Solubility

WLOGP
6.5
MLOGP
5.76
XLogP3
6.8
Consensus LogP
6.35
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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