CAS RN: 679794-03-7
1-PHENYLSULFONYL-6-BROMOINDOLE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-177708
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
679794-03-7 / 1-(benzenesulfonyl)-6-bromoindole
Basic Information
CAS
679794-03-7
Multi CAS
No
Molecular Formula
BC14H10O2RnS
Molecular Weight
336.210000
Exact Mass
334.961560
InChI
InChI=1S/C14H10BrNO2S/c15-12-7-6-11-8-9-16(14(11)10-12)19(17,18)13-4-2-1-3-5-13/h1-10H
InChIKey
NENPDYQYNRFWQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.66
TPSA
39.07
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
3.9
Consensus LogP
3.59
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
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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