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CAS 854515-52-9 6-HYDROXY-2-METHYLBENZOFURAN-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 854515-52-9

6-HYDROXY-2-METHYLBENZOFURAN-3-CARBOXYLIC ACID

  • Product code: SSC-193840
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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: ≥95%
  • 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 854515-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

854515-52-9 / 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid

Standard CAS: 854515-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854515-52-9
Multi CAS
No
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
InChI
InChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)
InChIKey
JVELFLPOFDICQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.58
TPSA
70.67

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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