CAS RN: 63403-57-6
DICHLOROACETIC ACID-D2
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.20250505 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63403-57-6
- Purity/Analytical Methods: >99.0%
63403-57-6 / deuterio 2,2-dichloro-2-deuterioacetate
Basic Information
CAS
63403-57-6
Multi CAS
Yes
Molecular Formula
C2H2CL2O2
Molecular Weight
130.950000
Exact Mass
129.955738
InChI
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1D/hD
InChIKey
JXTHNDFMNIQAHM-PFUFQJKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.13
TPSA
37.3
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-2.89
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
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