CAS RN: 1084-65-7
METICRANE
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250316 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1084-65-7
- Purity/Analytical Methods: >99.0%
1084-65-7 / 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
meticrane | Arresten | Fontiliz
Basic Information
CAS
1084-65-7
Multi CAS
Yes
Molecular Formula
C10H13NO4S2
Molecular Weight
275.300000
Exact Mass
275.028600
SMILES
CC1=CC2=C(C=C1S(=O)(=O)N)S(=O)(=O)CCC2
InChI
InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKey
FNQQBFNIYODEMB-UHFFFAOYSA-N
Synonyms
meticrane
Arresten
Fontiliz
Meticrano
6-Methylthiochroman-7-sulfonamide 1,1-dioxide
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.93
TPSA
94.3
LogP / Solubility
WLOGP
0.36
MLOGP
0.33
XLogP3
0.5
Consensus LogP
0.4
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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