CAS RN: 56540-70-6
1-BENZOFURAN-5-CARBONYL CHLORIDE
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.20260610 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56540-70-6
- Purity/Analytical Methods: >99.0%
56540-70-6 / 1-benzofuran-5-carbonyl chloride
Basic Information
CAS
56540-70-6
Multi CAS
Yes
Molecular Formula
C9H5CLO2
Molecular Weight
180.590000
Exact Mass
179.997807
InChI
InChI=1S/C9H5ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey
HVLITELPDNDMFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.4
TPSA
30.21
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-1.83
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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