![CAS 139892-53-8 (R)-2-(Chloromethyl)-1,4-dioxaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139892-53-8.gif)
CAS RN: 139892-53-8
(R)-2-(Chloromethyl)-1,4-dioxaspiro[4.5]decane
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.20250107 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS139892-53-8
- Purity/Analytical Methods: >99.0%
139892-53-8 / (3R)-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane
Basic Information
CAS
139892-53-8
Multi CAS
No
Molecular Formula
C9H15ClO2
Molecular Weight
190.670000
Exact Mass
190.076057
SMILES
C1CCC2(CC1)OC[C@@H](O2)CCl
InChI
InChI=1S/C9H15ClO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7H2/t8-/m0/s1
InChIKey
XGQRXAWHKWEULC-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.36
TPSA
18.46
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
6-Oxabicyclo[3.2.1]octan-7-one, 4-bromo-, (1S-exo)- (9CI)
- CAS RN: 139893-81-5
- Product Code: starshine_CAS139893-81-5
- Purity/Analytical method: >99.0%
-
Chingchengenamide A
- CAS RN: 139906-29-9
- Product Code: starshine_CAS139906-29-9
- Purity/Analytical method: >99.0%
-
2-Quinolinamine,5,6,7,8-tetrahydro-(9CI)
- CAS RN: 139908-32-0
- Product Code: starshine_CAS139908-32-0
- Purity/Analytical method: >99.0%
-
-
![CAS 139893-81-5 6-Oxabicyclo[3.2.1]octan-7-one, 4-bromo-, (1S-exo)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139893-81-5.gif)
