CAS RN: 115010-11-2
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260530 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTD3553
- Purity/Analytical Methods: >98.0%(GC)
115010-11-2 / 2,3-dihydro-1-benzofuran-5-sulfonyl chloride
2,3-dihydrobenzofuran-5-sulfonyl Chloride | RefChem:442391 | 673-103-7
Basic Information
CAS
115010-11-2
Multi CAS
Yes
Molecular Formula
C8H7ClO3S
Molecular Weight
218.660000
Exact Mass
217.980443
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKey
RVWYPBARHGPULM-UHFFFAOYSA-N
Synonyms
2,3-dihydrobenzofuran-5-sulfonyl Chloride
RefChem:442391
673-103-7
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
2,3-Dihydro-1-benzofuran-5-sulfonoylchloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.68
TPSA
43.37
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1.9
Consensus LogP
1.61
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
