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CAS 277312-95-5 8-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one molecular structure lightbox
CAS RN: 277312-95-5

8-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 50mg Out of stock 15 business days Inquiry
  • Product code: LINH929655
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277312-95-5 / 8-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one

Standard CAS: 277312-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
277312-95-5
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h3-5,11H,1-2H3
InChIKey
DMLOFESDZBWMSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.23
TPSA
55.76

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.71

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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