[email protected]
CAS 1435347-23-1 4,5-Dichloro-1,3-bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride molecular structure lightbox
CAS RN: 1435347-23-1

4,5-Dichloro-1,3-bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251103 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260214 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260319 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260628 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250412 50mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260314 5g Out of stock Inquiry
  • Product code: SSC-054951
GET A QUOTE
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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1435347-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥97% 0 Out of Stock Shenzhen Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1435347-23-1 / 4,5-dichloro-1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium chloride

Standard CAS: 1435347-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1435347-23-1
Multi CAS
No
Molecular Formula
C35H51Cl3N2
Molecular Weight
606.100000
Exact Mass
604.311783
SMILES
CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2C=[N+](C(=C2Cl)Cl)C3=C(C=CC=C3C(CC)CC)C(CC)CC.[Cl-]
InChI
InChI=1S/C35H51Cl2N2.ClH/c1-9-24(10-2)28-19-17-20-29(25(11-3)12-4)32(28)38-23-39(35(37)34(38)36)33-30(26(13-5)14-6)21-18-22-31(33)27(15-7)16-8;/h17-27H,9-16H2,1-8H3;1H/q+1;/p-1
InChIKey
IPKNFXZJRFURES-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
17
Fraction Csp3
0.57
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
170.61
TPSA
8.81

LogP / Solubility

WLOGP
8.68
MLOGP
7.69
XLogP3
8.68
Consensus LogP
8.35
Log S (ESOL)
-8.46
Class (ESOL)
Insoluble
Log S (Ali)
-10.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.48
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us