![CAS 1216892-47-5 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-3-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5821419.gif)
CAS RN: 1216892-47-5
5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-3-SULFONYL CHLORIDE
- Product code: SSC-024326
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1216892-47-5 / 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonyl chloride
Basic Information
CAS
1216892-47-5
Multi CAS
No
Molecular Formula
C7H9ClN2O2S
Molecular Weight
220.680000
Exact Mass
220.007326
SMILES
C1CCN2C(=NC=C2S(=O)(=O)Cl)C1
InChI
InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-5-9-6-3-1-2-4-10(6)7/h5H,1-4H2
InChIKey
WOCAAWOBBCHYDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.2
TPSA
51.96
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.25
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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