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CAS 1100318-47-5 CCX140 molecular structure lightbox
CAS RN: 1100318-47-5

CCX140

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250603 2mg / 5mg / 10mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-011294
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1100318-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1100318-47-5 / 4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

Ilacirnon | CCX140-B | Ilacirnon [USAN]

Standard CAS: 1100318-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1100318-47-5
Multi CAS
No
Molecular Formula
C20H13ClF3N5O3S
Molecular Weight
495.900000
Exact Mass
495.037973
SMILES
CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
InChIKey
LUUMLYXKTPBTQR-UHFFFAOYSA-N
Synonyms
Ilacirnon CCX140-B Ilacirnon [USAN] CCX-140 380F68J5PH

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
113.56
TPSA
117.7

LogP / Solubility

WLOGP
4.37
MLOGP
3.88
XLogP3
4.6
Consensus LogP
4.28
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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