![CAS 1325700-11-5 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]furan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1325700-11-5.gif)
CAS RN: 1325700-11-5
5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]furan-2-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1325700-11-5
- Purity/Analytical Methods: >99.0%
1325700-11-5 / 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]furan-2-one
Basic Information
CAS
1325700-11-5
Multi CAS
No
Molecular Formula
C17H20O5S
Molecular Weight
340.400000
Exact Mass
340.128252
SMILES
[2H]C1(C(C1([2H])[2H])COC2=C(C(OC2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)C)[2H]
InChI
InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3/i4D2,5D2
InChIKey
FULAPETWGIGNMT-CQOLUAMGSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
85.32
TPSA
69.67
LogP / Solubility
WLOGP
2.56
MLOGP
2.27
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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