Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Shenzhen | Inquiry |
78329-47-2 / 1-(benzenesulfonyl)-5-chloroindole
Basic Information
CAS
78329-47-2
Multi CAS
No
Molecular Formula
C14H10CLNO2S
Molecular Weight
291.800000
Exact Mass
291.012077
InChI
InChI=1S/C14H10ClNO2S/c15-12-6-7-14-11(10-12)8-9-16(14)19(17,18)13-4-2-1-3-5-13/h1-10H
InChIKey
BIZBWMORZPLKLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.97
TPSA
39.07
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3.9
Consensus LogP
3.52
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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