CAS RN: 36042-94-1
DI-O-TOLYLCHLOROPHOSPHINE
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.20251022 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS36042-94-1
- Purity/Analytical Methods: >99.0%
36042-94-1 / chloro-bis(2-methylphenyl)phosphane
Basic Information
CAS
36042-94-1
Multi CAS
No
Molecular Formula
C14H14CLP
Molecular Weight
248.690000
Exact Mass
248.052165
InChI
InChI=1S/C14H14ClP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
KAAGXBGJRWFWPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
Molar refractivity
74.4
TPSA
0.0000
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
4.6
Consensus LogP
3.97
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
