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CAS 312624-05-8 2 6-BIS[(4R 5R)-4-METHYL-5-PHENYL-2-OXA& molecular structure lightbox
CAS RN: 312624-05-8

2 6-BIS[(4R 5R)-4-METHYL-5-PHENYL-2-OXA&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS312624-05-8
  • Purity/Analytical Methods: >99.0%
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312624-05-8 / 4-methyl-2-[6-(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-5-phenyl-4,5-dihydro-1,3-oxazole

Standard CAS: 312624-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312624-05-8
Multi CAS
Yes
Molecular Formula
C25H23N3O2
Molecular Weight
397.500000
Exact Mass
397.179027
InChI
InChI=1S/C25H23N3O2/c1-16-22(18-10-5-3-6-11-18)29-24(26-16)20-14-9-15-21(28-20)25-27-17(2)23(30-25)19-12-7-4-8-13-19/h3-17,22-23H,1-2H3/t16-,17-,22+,23+/m1/s1
InChIKey
WAQJMWVRZVOTCH-AFXFGAOOSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
116.77
TPSA
56.07

LogP / Solubility

WLOGP
4.89
MLOGP
4.33
XLogP3
4.5
Consensus LogP
4.57
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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