CAS RN: 62674-12-8
3,4-DICHLORO-2(5H)-FURANONE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260613 | 1g | In stock | Inquiry |
- Product code: starshine_CAS62674-12-8
- Purity/Analytical Methods: >99.0%
62674-12-8 / 3,4-dichloro-2H-furan-5-one
Basic Information
CAS
62674-12-8
Multi CAS
No
Molecular Formula
C4H2CL2O2
Molecular Weight
152.960000
Exact Mass
151.943185
InChI
InChI=1S/C4H2Cl2O2/c5-2-1-8-4(7)3(2)6/h1H2
InChIKey
ULWRZZDLLPNFEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
29.69
TPSA
26.3
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
1.4
Consensus LogP
1.24
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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