CAS RN: 929896-22-0
(S,S)-4,6-Bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 10mg | In stock | Shanghai | Inquiry |
- Product code: ICTB4196
- Purity/Analytical Methods: >93.0%(GC)
929896-22-0 / (4S)-2-[2,4-dimethyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
929896-22-0
Multi CAS
Yes
Molecular Formula
C20H28N2O2
Molecular Weight
328.400000
Exact Mass
328.215078
InChI
InChI=1S/C20H28N2O2/c1-11(2)17-9-23-19(21-17)15-8-16(14(6)7-13(15)5)20-22-18(10-24-20)12(3)4/h7-8,11-12,17-18H,9-10H2,1-6H3/t17-,18-/m1/s1
InChIKey
WRIRILQZUGPIMT-QZTJIDSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
98.15
TPSA
43.18
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
4.5
Consensus LogP
3.95
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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