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CAS 314725-17-2 6-Benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester molecular structure lightbox
CAS RN: 314725-17-2

6-Benzofurancarboxylic acid, 4-hydroxy-2-methyl-, methyl ester

  • Product code: SSC-136864
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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 314725-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

314725-17-2 / methyl 4-hydroxy-2-methyl-1-benzofuran-6-carboxylate

Standard CAS: 314725-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
314725-17-2
Multi CAS
Yes
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-6-3-8-9(12)4-7(11(13)14-2)5-10(8)15-6/h3-5,12H,1-2H3
InChIKey
ITSXUNBDKRJPHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.96
TPSA
59.67

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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