CAS RN: 1282218-14-7
5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonyl 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.20250304 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1282218-14-7
- Purity/Analytical Methods: >99.0%
1282218-14-7 / 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
Basic Information
CAS
1282218-14-7
Multi CAS
No
Molecular Formula
C8H6ClNO3S2
Molecular Weight
263.700000
Exact Mass
262.947763
SMILES
CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKey
KYTGBJPEUYAGNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
57.59
TPSA
60.17
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
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![CAS 1282514-63-9 IMidazo[1,2-d][1,4]benzoxazepine, 9-broMo-5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282514-63-9.gif)
![CAS 1282514-64-0 1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]iMidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-diMethyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282514-64-0.gif)