CAS RN: 137-18-8
p-Xyloquinone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-046493
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, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
137-18-8 / 2,5-dimethylcyclohexa-2,5-diene-1,4-dione
Basic Information
CAS
137-18-8
Multi CAS
No
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
SMILES
CC1=CC(=O)C(=CC1=O)C
InChI
InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey
MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Physical Properties
Physical Description
Yellow solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
37.53
TPSA
34.14
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1.3
Consensus LogP
1.08
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
3,4-Dimethylcyclohexanone (mixture of isomers)
- CAS RN: 5465-09-8
- Product Code: SSC-162417
-
-
-
-
-
2-Methyl-4-heptanone
- CAS RN: 626-33-5
- Product Code: ICTM0694
- Purity/Analytical method: >99.0%(GC)
