CAS RN: 1439552-38-1
Bis(1,1-dimethylethyl)-2-thienylphosphine
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.20260406 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889915
1439552-38-1 / ditert-butyl(thiophen-2-yl)phosphane
Basic Information
CAS
1439552-38-1
Multi CAS
No
Molecular Formula
C12H21PS
Molecular Weight
228.340000
Exact Mass
228.110159
SMILES
CC(C)(C)P(C1=CC=CS1)C(C)(C)C
InChI
InChI=1S/C12H21PS/c1-11(2,3)13(12(4,5)6)10-8-7-9-14-10/h7-9H,1-6H3
InChIKey
LIIFRXXEEHBPFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.38
TPSA
28.2000
LogP / Solubility
WLOGP
4.45
MLOGP
3.92
XLogP3
3.5
Consensus LogP
3.96
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95
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
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