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CAS 959427-23-7 Benzenamine, 2-[(4S,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-N-[2-[(4S,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]phenyl]- molecular structure lightbox
CAS RN: 959427-23-7

Benzenamine, 2-[(4S,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-N-[2-[(4S,5S)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]phenyl]-

  • Product code: SSC-211669
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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: ＞97%
  • 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 959427-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

959427-23-7 / 2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline

Standard CAS: 959427-23-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
959427-23-7
Multi CAS
Yes
Molecular Formula
C42H33N3O2
Molecular Weight
611.700000
Exact Mass
611.257277
InChI
InChI=1S/C42H33N3O2/c1-5-17-29(18-6-1)37-39(31-21-9-3-10-22-31)46-41(44-37)33-25-13-15-27-35(33)43-36-28-16-14-26-34(36)42-45-38(30-19-7-2-8-20-30)40(47-42)32-23-11-4-12-24-32/h1-28,37-40,43H/t37-,38-,39-,40-/m0/s1
InChIKey
RCEHTJHLGNWFOJ-YKKXUYLKSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
188.14
TPSA
55.21

LogP / Solubility

WLOGP
9.95
MLOGP
8.8
XLogP3
9
Consensus LogP
9.25
Log S (ESOL)
-9.94
Class (ESOL)
Insoluble
Log S (Ali)
-11.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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