CAS RN: 53911-68-5
BETA-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE
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.20250126 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53911-68-5
- Purity/Analytical Methods: >99.0%
53911-68-5 / 4-(4-chlorophenyl)oxane-2,6-dione
Basic Information
CAS
53911-68-5
Multi CAS
Yes
Molecular Formula
C11H9CLO3
Molecular Weight
224.640000
Exact Mass
224.024022
InChI
InChI=1S/C11H9ClO3/c12-9-3-1-7(2-4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2
InChIKey
OCZRLOJECISNAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.53
TPSA
43.37
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
TRIBUTYL(3-METHYL-2-BUTENYL)TIN
- CAS RN: 53911-92-5
- Product Code: starshine_CAS53911-92-5
- Purity/Analytical method: >99.0%
-
-
(+)-Anabasinehydrochloride
- CAS RN: 53912-89-3
- Product Code: starshine_CAS53912-89-3
- Purity/Analytical method: >99.0%
-
-
-
2H-Thiopyran-2-carboxylicacid,tetrahydro-(9CI)
- CAS RN: 53916-77-1
- Product Code: SSC-161333
