CAS RN: 856180-58-0
3-Chlorobenzofuran-2-carboxylic acid
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.20251227 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS856180-58-0
- Purity/Analytical Methods: >99.0%
856180-58-0 / 3-chloro-1-benzofuran-2-carboxylic acid
Basic Information
CAS
856180-58-0
Multi CAS
No
Molecular Formula
C9H5CLO3
Molecular Weight
196.580000
Exact Mass
195.992722
InChI
InChI=1S/C9H5ClO3/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChIKey
HYYPKAKRYNNGPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.18
TPSA
50.44
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-1.94
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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