CAS RN: 58550-84-8
N-(phenylsulphonyl)-3-methylindole
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.20260120 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58550-84-8
- Purity/Analytical Methods: >99.0%
58550-84-8 / 1-(benzenesulfonyl)-3-methylindole
Basic Information
CAS
58550-84-8
Multi CAS
No
Molecular Formula
C15H13NO2S
Molecular Weight
271.300000
Exact Mass
271.066700
InChI
InChI=1S/C15H13NO2S/c1-12-11-16(15-10-6-5-9-14(12)15)19(17,18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey
JMFHTDJSMGWOTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.7
TPSA
39.07
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.6
Consensus LogP
3.2
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-2.11
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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