![CAS 1003886-01-8 “(4S,4’S)-2,2′-Cyclopropylidenebis[4,5-dihydro-4-(phenylmethyl)oxazole],99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1003886-01-8.gif)
CAS RN: 1003886-01-8
“(4S,4’S)-2,2′-Cyclopropylidenebis[4,5-dihydro-4-(phenylmethyl)oxazole],99%e.e.”
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250326 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1003886-01-8
- Purity/Analytical Methods: >99.0%
1003886-01-8 / (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole) | MFCD32671462 | CS-0103895
Basic Information
CAS
1003886-01-8
Multi CAS
Yes
Molecular Formula
C23H24N2O2
Molecular Weight
360.400000
Exact Mass
360.183778
SMILES
C1CC1(C2=N[C@H](CO2)CC3=CC=CC=C3)C4=N[C@H](CO4)CC5=CC=CC=C5
InChI
InChI=1S/C23H24N2O2/c1-3-7-17(8-4-1)13-19-15-26-21(24-19)23(11-12-23)22-25-20(16-27-22)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKey
UWAPKSLVKVQVBT-PMACEKPBSA-N
Synonyms
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)
MFCD32671462
CS-0103895
G71858
F552217
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
106.31
TPSA
43.18
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
3.8
Consensus LogP
3.68
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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