CAS RN: 2624-43-3
(Cyclohexylidenemethylene)bis(4,1-phenylene) diacetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250227 | 1ml | In stock | Inquiry |
- Product code: LINC843737
2624-43-3 / [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
Basic Information
CAS
2624-43-3
Multi CAS
No
Molecular Formula
C23H24O4
Molecular Weight
364.400000
Exact Mass
364.167459
SMILES
CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C
InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
InChIKey
GVOUFPWUYJWQSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
104.61
TPSA
52.6
LogP / Solubility
WLOGP
5.3
MLOGP
4.69
XLogP3
5.5
Consensus LogP
5.16
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.91
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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