CAS RN: 1782910-29-5
2-Benzofurancarboxylic acid, 7-formyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1782910-29-5
- Purity/Analytical Methods: >99.0%
1782910-29-5 / 7-formyl-1-benzofuran-2-carboxylic acid
Basic Information
CAS
1782910-29-5
Multi CAS
No
Molecular Formula
C10H6O4
Molecular Weight
190.150000
Exact Mass
190.026609
SMILES
C1=CC2=C(C(=C1)C=O)OC(=C2)C(=O)O
InChI
InChI=1S/C10H6O4/c11-5-7-3-1-2-6-4-8(10(12)13)14-9(6)7/h1-5H,(H,12,13)
InChIKey
QHNMKCIHIVCQNX-UHFFFAOYSA-N
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
1.6
Consensus LogP
1.75
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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