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CAS 154714-19-9 5-HYDROXY-2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-4-ONE molecular structure lightbox
CAS RN: 154714-19-9

5-HYDROXY-2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-4-ONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-064079
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 154714-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

154714-19-9 / 5-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one

Standard CAS: 154714-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154714-19-9
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
SMILES
CC1(OC2=CC=CC(=C2C(=O)O1)O)C
InChI
InChI=1S/C10H10O4/c1-10(2)13-7-5-3-4-6(11)8(7)9(12)14-10/h3-5,11H,1-2H3
InChIKey
GCOZFWFNEBPOJF-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
2.4
Consensus LogP
1.85
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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