CAS RN: 1698914-57-6
T279
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.20250928 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1698914-57-6
- Purity/Analytical Methods: >99.0%
1698914-57-6 / methyl 2-[4-(4-chlorophenyl)cyclohexyl]acetate
Basic Information
CAS
1698914-57-6
Multi CAS
No
Molecular Formula
C15H19ClO2
Molecular Weight
266.760000
Exact Mass
266.107358
SMILES
COC(=O)CC1CCC(CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H19ClO2/c1-18-15(17)10-11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-9,11-12H,2-5,10H2,1H3
InChIKey
CGPOAIZCWIUHQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
72.78
TPSA
26.3
LogP / Solubility
WLOGP
4.18
MLOGP
3.68
XLogP3
4.6
Consensus LogP
4.15
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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