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CAS 676273-39-5 3-Iodo-1-tosyl-1h-indole-5-carbonitrile molecular structure lightbox
CAS RN: 676273-39-5

3-Iodo-1-tosyl-1h-indole-5-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177342
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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: 5g
  • 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 676273-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

676273-39-5 / 3-iodo-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

Standard CAS: 676273-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676273-39-5
Multi CAS
No
Molecular Formula
C16H11In2O2S
Molecular Weight
422.200000
Exact Mass
421.958600
InChI
InChI=1S/C16H11IN2O2S/c1-11-2-5-13(6-3-11)22(20,21)19-10-15(17)14-8-12(9-18)4-7-16(14)19/h2-8,10H,1H3
InChIKey
IUOBIBLYALVHRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
93.13
TPSA
62.86

LogP / Solubility

WLOGP
3.66
MLOGP
3.25
XLogP3
4
Consensus LogP
3.64
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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