CAS RN: 17454-42-1
CYCLOHEXANO-12-CROWN-4, MIXTURE OF CIS AND TRANS, 93
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS17454-42-1
- Purity/Analytical Methods: >99.0%
17454-42-1 / 2,5,8,11-tetraoxabicyclo[10.4.0]hexadecane
Basic Information
CAS
17454-42-1
Multi CAS
No
Molecular Formula
C12H22O4
Molecular Weight
230.300000
Exact Mass
230.151809
SMILES
C1CCC2C(C1)OCCOCCOCCO2
InChI
InChI=1S/C12H22O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h11-12H,1-10H2
InChIKey
ILCAEFFUYHJPAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
59.59
TPSA
36.92
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
CYCLOHEXANO-15-CROWN-5
- CAS RN: 17454-48-7
- Product Code: starshine_CAS17454-48-7
- Purity/Analytical method: >99.0%
-
-
-
N1,N1-DIMETHYL-4-NITROBENZENE-1-SULFONAMIDE
- CAS RN: 17459-03-9
- Product Code: starshine_CAS17459-03-9
- Purity/Analytical method: >99.0%
-
Z-D-PHE-PRO-OH
- CAS RN: 17460-56-9
- Product Code: starshine_CAS17460-56-9
- Purity/Analytical method: >99.0%
-
H-ALA-ONP HCL
- CAS RN: 17463-53-5
- Product Code: starshine_CAS17463-53-5
- Purity/Analytical method: >99.0%
