![CAS 2757082-77-0 2,2′-Bipyridine, 6,6′-bis[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-77-0.gif)
CAS RN: 2757082-77-0
2,2′-Bipyridine, 6,6′-bis[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757082-77-0
- Purity/Analytical Methods: >99.0%
2757082-77-0 / (4R)-4-phenyl-2-[6-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757082-77-0
Multi CAS
No
Molecular Formula
C28H22N4O2
Molecular Weight
446.500000
Exact Mass
446.174276
SMILES
C1[C@H](N=C(O1)C2=CC=CC(=N2)C3=NC(=CC=C3)C4=N[C@@H](CO4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C28H22N4O2/c1-3-9-19(10-4-1)25-17-33-27(31-25)23-15-7-13-21(29-23)22-14-8-16-24(30-22)28-32-26(18-34-28)20-11-5-2-6-12-20/h1-16,25-26H,17-18H2/t25-,26-/m0/s1
InChIKey
IGCOZILWCDLYHM-UIOOFZCWSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
130.81
TPSA
68.96
LogP / Solubility
WLOGP
5.18
MLOGP
4.59
XLogP3
4.6
Consensus LogP
4.79
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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