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CAS 199444-11-6 IR 775 Chloride molecular structure lightbox
CAS RN: 199444-11-6

IR 775 Chloride

Product Availability

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10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 100mg Out of stock 8-10 business days Inquiry
Batchno.20251127 1g In stock Guangdong Inquiry
Batchno.20260401 250mg In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250921 1g In stock Inquiry
Batchno.20250509 250mg In stock Inquiry
Batchno.20260609 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100mg In stock Shanghai Inquiry
Batchno.20250922 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250512 250mg In stock Shanghai Inquiry
Batchno.20251114 5g In stock Shanghai Inquiry
  • Product code: SSC-093897
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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: 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 199444-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

199444-11-6 / 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole chloride

Standard CAS: 199444-11-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
199444-11-6
Multi CAS
No
Molecular Formula
C32H36Cl2N2
Molecular Weight
519.500000
Exact Mass
518.225555
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-]
InChI
InChI=1S/C32H36ClN2.ClH/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1
InChIKey
BPSIJFMUSNMMAL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.34
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
150.23
TPSA
6.25

LogP / Solubility

WLOGP
5.17
MLOGP
4.59
XLogP3
5.17
Consensus LogP
4.98
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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