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CAS 183072-30-2 (4R,4′R,5R,5′R)-2,2′-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl)oxazole molecular structure lightbox
CAS RN: 183072-30-2

(4R,4′R,5R,5′R)-2,2′-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl)oxazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251110 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251219 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250301 1g In stock Shanghai Inquiry
Batchno.20260507 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS183072-30-2
  • Purity/Analytical Methods: >99.0%
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183072-30-2 / (4R,5R)-2-[2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 183072-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183072-30-2
Multi CAS
No
Molecular Formula
C33H30N2O2
Molecular Weight
486.600000
Exact Mass
486.230728
SMILES
CC(C)(C1=N[C@@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=N[C@@H]([C@H](O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H30N2O2/c1-33(2,31-34-27(23-15-7-3-8-16-23)29(36-31)25-19-11-5-12-20-25)32-35-28(24-17-9-4-10-18-24)30(37-32)26-21-13-6-14-22-26/h3-22,27-30H,1-2H3/t27-,28-,29-,30-/m1/s1
InChIKey
ZWWGNCSTEMMQOQ-SKKKGAJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
147.55
TPSA
43.18

LogP / Solubility

WLOGP
7.84
MLOGP
6.93
XLogP3
6.9
Consensus LogP
7.22
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.05
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)
-0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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