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CAS 10035-38-8 5-formyl-1-benzofuran-2-carboxylic acid molecular structure lightbox
CAS RN: 10035-38-8

5-formyl-1-benzofuran-2-carboxylic acid

  • Product code: SSC-000856
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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: 0.25g
  • 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 10035-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

10035-38-8 / 5-formyl-1-benzofuran-2-carboxylic acid

5-formyl-1-benzofuran-2-carboxylic acid | MFCD11501721 | 5-FORMYLBENZOFURAN-2-CARBOXYLIC ACID

Standard CAS: 10035-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10035-38-8
Multi CAS
No
Molecular Formula
C10H6O4
Molecular Weight
190.150000
Exact Mass
190.026609
SMILES
C1=CC2=C(C=C1C=O)C=C(O2)C(=O)O
InChI
InChI=1S/C10H6O4/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-5H,(H,12,13)
InChIKey
YRNPPKSMEYNYAF-UHFFFAOYSA-N
Synonyms
5-formyl-1-benzofuran-2-carboxylic acid MFCD11501721 5-FORMYLBENZOFURAN-2-CARBOXYLIC ACID 5-Formyl-2-benzofurancarboxylic acid SCHEMBL2332320

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.56
TPSA
67.51

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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