[email protected]
CAS 786643-20-7 D-149 Dye molecular structure lightbox
CAS RN: 786643-20-7

D-149 Dye

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 50mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 50mg Out of stock Inquiry
  • Product code: starshine_CAS786643-20-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

786643-20-7 / 2-[(2E,5Z)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid

Standard CAS: 786643-20-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
786643-20-7
Multi CAS
Yes
Molecular Formula
C42H35N3O4S3
Molecular Weight
741.900000
Exact Mass
741.178970
InChI
InChI=1S/C42H35N3O4S3/c1-2-43-40(49)38(52-42(43)50)41-44(25-37(46)47)39(48)36(51-41)24-27-18-21-35-33(23-27)31-14-9-15-34(31)45(35)30-19-16-26(17-20-30)22-32(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,16-24,31,34H,2,9,14-15,25H2,1H3,(H,46,47)/b36-24-,41-38+
InChIKey
OZFUEQNYOBIXTB-SJIUXOFISA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
29
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
215.28
TPSA
82.85

LogP / Solubility

WLOGP
7.19
MLOGP
6.39
XLogP3
9.7
Consensus LogP
7.76
Log S (ESOL)
-8.85
Class (ESOL)
Insoluble
Log S (Ali)
-10.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.41
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us