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CAS 465543-05-9 1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-(trichloromethyl)-imidazolidine molecular structure lightbox
CAS RN: 465543-05-9

1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-(trichloromethyl)-imidazolidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-153906
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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: ＞97%
  • 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 465543-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

465543-05-9 / 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-(trichloromethyl)imidazolidine

Standard CAS: 465543-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
465543-05-9
Multi CAS
No
Molecular Formula
C28H39CL3N2
Molecular Weight
510.000000
Exact Mass
508.217882
InChI
InChI=1S/C28H39Cl3N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)32-15-16-33(27(32)28(29,30)31)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27H,15-16H2,1-8H3
InChIKey
XBULWIOTXSXENI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
148.01
TPSA
6.48

LogP / Solubility

WLOGP
9.2
MLOGP
8.14
XLogP3
10.2
Consensus LogP
9.18
Log S (ESOL)
-8.67
Class (ESOL)
Insoluble
Log S (Ali)
-10.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
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)
0.7

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
2.5

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