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CAS 1019331-10-2 S0859 molecular structure lightbox
CAS RN: 1019331-10-2

S0859

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260507 10mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg In stock Inquiry
Batchno.20250903 10mg In stock Inquiry
Batchno.20260124 25mg In stock Inquiry
Batchno.20251211 50mg Out of stock Inquiry
Batchno.20250102 5mg In stock Inquiry
  • Product code: SSC-003043
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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: 0.1g
  • Available purity: ≥95%
  • 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 1019331-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1019331-10-2 / 2-chloro-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-N-[(4-methylphenyl)methyl]benzamide

S0859 | 2-Chloro-N-((2'-(N-cyanosulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(4-methylbenzyl)benzamide | MFCD23136018

Standard CAS: 1019331-10-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1019331-10-2
Multi CAS
No
Molecular Formula
C29H24ClN3O3S
Molecular Weight
530.000000
Exact Mass
529.122691
SMILES
CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC#N)C(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
InChIKey
ITDBPOSLOROLMT-UHFFFAOYSA-N
Synonyms
S0859 2-Chloro-N-((2'-(N-cyanosulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(4-methylbenzyl)benzamide MFCD23136018 2-chloro-N-((2'-(N-cyanosulfamoyl)biphenyl-4-yl)methyl)-N-(4-methylbenzyl)benzamide 2-Chloro-N-({4-[2-(cyanosulfamoyl)phenyl]phenyl}methyl)-N-[(4-methylphenyl)methyl]benzamide

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
144.02
TPSA
90.27

LogP / Solubility

WLOGP
5.92
MLOGP
5.25
XLogP3
6
Consensus LogP
5.72
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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