CAS RN: 329371-25-7
(S,S)-N-Methylsulfonyl-1,2-diphenylethanediaMine(chloro)(p-cyMene)rutheniuM(II)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-138739
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: >98%
- Inventory rows with stock: 4
- 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.
329371-25-7 / 1-methyl-4-propan-2-ylbenzene
Basic Information
CAS
329371-25-7
Multi CAS
Yes
Molecular Formula
C10H14
Molecular Weight
134.220000
Exact Mass
134.109550
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey
HFPZCAJZSCWRBC-UHFFFAOYSA-N
Physical Properties
Melting Point
-90.2 °F (USCG, 1999)
-68.9 °C
-68 °C
Boiling Point
351 °F at 760 mmHg (USCG, 1999)
177.10 °C
176.00 to 178.00 °C. @ 760.00 mm Hg
177 °C
Density
0.857 at 68 °F (USCG, 1999) - Less dense than water; will float
0.8573 g/cu cm at 20 °C
Relative density (water = 1): 0.85
0.853-0.855
Physical Description
P-cymene is a colorless liquid with a mild pleasant odor. Floats on water. (USCG, 1999)
Liquid
Colorless liquid with a mild pleasant odor; [HSDB]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Colourless to pale yellow mobile liquid; citrusy aroma reminiscent of lemon
Appearance
Colorless transparent liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
45.27
TPSA
0.0000
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
4.1
Consensus LogP
3.32
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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