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CAS 1198791-45-5 (S)-2-(2′-(Diphenylphosphanyl)-[1,1′-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 1198791-45-5

(S)-2-(2′-(Diphenylphosphanyl)-[1,1′-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 100mg In stock Shanghai Inquiry
Batchno.20250104 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250908 1g In stock Shanghai Inquiry
Batchno.20260630 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1198791-45-5
  • Purity/Analytical Methods: >99.0%
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1198791-45-5 / diphenyl-[2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phosphane

(S)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole | starbld0011830 | SCHEMBL28369531

Standard CAS: 1198791-45-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1198791-45-5
Multi CAS
Yes
Molecular Formula
C33H26NOP
Molecular Weight
483.500000
Exact Mass
483.175201
SMILES
C1[C@@H](N=C(O1)C2=CC=CC=C2C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H26NOP/c1-4-14-25(15-5-1)31-24-35-33(34-31)30-22-11-10-20-28(30)29-21-12-13-23-32(29)36(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-23,31H,24H2/t31-/m1/s1
InChIKey
FXGJIAFCHRZJGU-WJOKGBTCSA-N
Synonyms
(S)-2-(2'-(diphenylphosphanyl)-[1,1'-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole starbld0011830 SCHEMBL28369531 MFCD34598573 CS-0110209

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
152.26
TPSA
21.59

LogP / Solubility

WLOGP
6.63
MLOGP
5.87
XLogP3
7.5
Consensus LogP
6.67
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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