CAS RN: 69815-95-8
5-METHYLFURAN-2-SULFONYL 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.20260510 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69815-95-8
- Purity/Analytical Methods: >99.0%
69815-95-8 / 5-methylfuran-2-sulfonyl chloride
Basic Information
CAS
69815-95-8
Multi CAS
No
Molecular Formula
C5H5CLO3S
Molecular Weight
180.610000
Exact Mass
179.964793
InChI
InChI=1S/C5H5ClO3S/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3
InChIKey
YNNRJWKCQVUBDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.48
TPSA
47.28
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
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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