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CAS 197584-99-9 7-Hydroxy-1,4-benzodioxan-6-carboxylic Acid molecular structure lightbox
CAS RN: 197584-99-9

7-Hydroxy-1,4-benzodioxan-6-carboxylic Acid

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 100mg Out of stock Inquiry
Batchno.20250131 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260508 250mg Out of stock Inquiry
  • Product code: SSC-093167
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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 197584-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

197584-99-9 / 6-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Standard CAS: 197584-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197584-99-9
Multi CAS
No
Molecular Formula
C9H8O5
Molecular Weight
196.160000
Exact Mass
196.037173
SMILES
C1COC2=C(O1)C=C(C(=C2)O)C(=O)O
InChI
InChI=1S/C9H8O5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKey
IKCKXQPXYWBQSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.06
TPSA
75.99

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
1.4
Consensus LogP
1.01
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.3

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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