CAS RN: 2757083-40-0
INDEX NAME NOT YET ASSIGNED
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757083-40-0
- Purity/Analytical Methods: >99.0%
2757083-40-0 / (4R)-4-benzyl-2-[(1R,2R)-2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2757083-40-0
Multi CAS
No
Molecular Formula
C26H30N2O2
Molecular Weight
402.500000
Exact Mass
402.230728
InChI
InChI=1S/C26H30N2O2/c1-3-9-19(10-4-1)15-21-17-29-25(27-21)23-13-7-8-14-24(23)26-28-22(18-30-26)16-20-11-5-2-6-12-20/h1-6,9-12,21-24H,7-8,13-18H2/t21-,22-,23-,24-/m1/s1
InChIKey
ZJYPXEDQJJGDPA-MOUTVQLLSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
120.09
TPSA
43.18
LogP / Solubility
WLOGP
4.87
MLOGP
4.31
XLogP3
4.9
Consensus LogP
4.69
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-1.72
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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