[email protected]
CAS 432491-45-7 Cy7.5 DiAcid molecular structure lightbox
CAS RN: 432491-45-7

Cy7.5 DiAcid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS432491-45-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

432491-45-7 / 6-[(2E)-2-[(2E,4E,6E)-7-[3-(5-carboxypentyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]hexanoic acid bromide

Standard CAS: 432491-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
432491-45-7
Multi CAS
Yes
Molecular Formula
BC47H53O4Rn2
Molecular Weight
789.800000
Exact Mass
788.318870
InChI
InChI=1S/C47H52N2O4.BrH/c1-46(2)40(48(32-18-8-12-26-42(50)51)38-30-28-34-20-14-16-22-36(34)44(38)46)24-10-6-5-7-11-25-41-47(3,4)45-37-23-17-15-21-35(37)29-31-39(45)49(41)33-19-9-13-27-43(52)53;/h5-7,10-11,14-17,20-25,28-31H,8-9,12-13,18-19,26-27,32-33H2,1-4H3,(H-,50,51,52,53);1H
InChIKey
JFAVCRPDBJHTQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
20
Fraction Csp3
0.34
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
2
Molar refractivity
218.8
TPSA
80.85

LogP / Solubility

WLOGP
8.01
MLOGP
7.12
XLogP3
8.01
Consensus LogP
7.71
Log S (ESOL)
-9
Class (ESOL)
Insoluble
Log S (Ali)
-11.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.37
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

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
5.5

Customers Also Viewed

Get In Touch

Contact Us