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CAS 2216763-38-9 Rheb inhibitor NR1 molecular structure lightbox
CAS RN: 2216763-38-9

Rheb inhibitor NR1

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 1mg / 5mg / 25mg / 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-106636
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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 2216763-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2216763-38-9 / 4-bromo-6-(3,4-dichlorophenyl)sulfanyl-1-[[4-(dimethylcarbamoyl)phenyl]methyl]indole-2-carboxylic acid

Standard CAS: 2216763-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2216763-38-9
Multi CAS
No
Molecular Formula
C25H19BrCl2N2O3S
Molecular Weight
578.300000
Exact Mass
575.967680
SMILES
CN(C)C(=O)C1=CC=C(C=C1)CN2C(=CC3=C2C=C(C=C3Br)SC4=CC(=C(C=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33)
InChIKey
MJYFVDNMTKLGTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
140.74
TPSA
62.54

LogP / Solubility

WLOGP
7.31
MLOGP
6.48
XLogP3
6.9
Consensus LogP
6.9
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-9.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3

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