CAS RN: 20395-25-9
1,1,3-trichloropropane
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250617 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20395-25-9
- Purity/Analytical Methods: >99.0%
20395-25-9 / 1,1,3-trichloropropane
Basic Information
CAS
20395-25-9
Multi CAS
No
Molecular Formula
C3H5Cl3
Molecular Weight
147.430000
Exact Mass
145.945683
SMILES
C(CCl)C(Cl)Cl
InChI
InChI=1S/C3H5Cl3/c4-2-1-3(5)6/h3H,1-2H2
InChIKey
URWHLZCXYCQNSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
30.83
TPSA
0.0000
LogP / Solubility
WLOGP
2.42
MLOGP
2.12
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-1.9
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
1.5
