[email protected]
CAS 649736-75-4 1 3-BIS(2 6-DIISOPROPYLPHENYL)IMIDAZOL-& molecular structure lightbox
CAS RN: 649736-75-4

1 3-BIS(2 6-DIISOPROPYLPHENYL)IMIDAZOL-&

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-174618
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: 0.1g
  • 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 649736-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

649736-75-4 / bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium);bis(naphthalene-1,4-dione)

Standard CAS: 649736-75-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
649736-75-4
Multi CAS
Yes
Molecular Formula
C74H84N4O4PD2
Molecular Weight
1306.300000
Exact Mass
1306.456630
InChI
InChI=1S/2C27H36N2.2C10H6O2.2Pd/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*9-16,18-21H,1-8H3;2*1-6H;;
InChIKey
POVDYDCNTKFAKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
84
Aromatic heavy atom count
46
Fraction Csp3
0.32
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
337.88
TPSA
88

LogP / Solubility

WLOGP
18.92
MLOGP
16.79
XLogP3
18.92
Consensus LogP
18.21
Log S (ESOL)
-19.47
Class (ESOL)
Insoluble
Log S (Ali)
-23.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us