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CAS 99655-68-2 3-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE molecular structure lightbox
CAS RN: 99655-68-2

3-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 1g / 5g / 10g / 25g / 100g Out of stock 3-5 business days Inquiry
  • Product code: SSC-213291
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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: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 99655-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

99655-68-2 / 1-(benzenesulfonyl)-3-bromoindole

Standard CAS: 99655-68-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99655-68-2
Multi CAS
Yes
Molecular Formula
BC14H10O2RnS
Molecular Weight
336.210000
Exact Mass
334.961560
InChI
InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChIKey
MXPFKHHDXIJNDX-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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