Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
160427-98-5 / 3-chlorooxan-4-one
Basic Information
CAS
160427-98-5
Multi CAS
No
Molecular Formula
C5H7ClO2
Molecular Weight
134.560000
Exact Mass
134.013457
SMILES
C1COCC(C1=O)Cl
InChI
InChI=1S/C5H7ClO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChIKey
GUHAJPZAYADBSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
30.08
TPSA
26.3
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.3
Consensus LogP
0.46
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.13
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
2
Customers Also Viewed
-
7-Methyl-1,2,3,4-tetrahydroquinolin-8-amine
- CAS RN: 160431-49-2
- Product Code: starshine_CAS160431-49-2
- Purity/Analytical method: >99.0%
-
-
3′,5,5′,7-Tetrahydroxyflavane
- CAS RN: 160436-10-2
- Product Code: starshine_CAS160436-10-2
- Purity/Analytical method: >99.0%
-
-
1H-Isoindol-1-one, 2,3-dihydro-6-phenyl-
- CAS RN: 160450-16-8
- Product Code: starshine_CAS160450-16-8
- Purity/Analytical method: >99.0%
-
L-Carnitine orotate
- CAS RN: 160468-17-7
- Product Code: starshine_CAS160468-17-7
- Purity/Analytical method: >99.0%
