CAS RN: 896722-51-3
1-(Phenylsulphonyl)-6-Methyl-7-azaindole
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.20250412 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS896722-51-3
- Purity/Analytical Methods: >99.0%
896722-51-3 / 1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine
Basic Information
CAS
896722-51-3
Multi CAS
No
Molecular Formula
C14H12N2O2S
Molecular Weight
272.320000
Exact Mass
272.061949
InChI
InChI=1S/C14H12N2O2S/c1-11-7-8-12-9-10-16(14(12)15-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
HDYOJYIOAJSSBF-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
4
Molar refractivity
73.5
TPSA
51.96
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.55
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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