CAS RN: 18719-58-9
TRIS(2-CHLOROETHYL)- ORTHOFORMATE
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.20250926 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS18719-58-9
- Purity/Analytical Methods: >99.0%
18719-58-9 / 1-[bis(2-chloroethoxy)methoxy]-2-chloroethane
Basic Information
CAS
18719-58-9
Multi CAS
No
Molecular Formula
C7H13Cl3O3
Molecular Weight
251.500000
Exact Mass
249.993027
SMILES
C(CCl)OC(OCCCl)OCCCl
InChI
InChI=1S/C7H13Cl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h7H,1-6H2
InChIKey
RKHRVKJTCSHZCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
53.8
TPSA
27.69
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.81
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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