CAS RN: 181934-09-8
Cy7.5 Acid(mono SO3)
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260528 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 250mg | Out of stock | Inquiry | |
| Batchno.20250126 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251112 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251106 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 5mg / 25mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS181934-09-8
- Purity/Analytical Methods: >99.0%
181934-09-8 / 4-[(2Z)-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]butane-1-sulfonate
Basic Information
CAS
181934-09-8
Multi CAS
No
Molecular Formula
C45H50N2O5S
Molecular Weight
731.000000
Exact Mass
730.344044
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCCC(=O)O)/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C
InChI
InChI=1S/C45H50N2O5S/c1-44(2)39(46(30-16-8-11-25-41(48)49)37-28-26-33-19-12-14-21-35(33)42(37)44)23-9-6-5-7-10-24-40-45(3,4)43-36-22-15-13-20-34(36)27-29-38(43)47(40)31-17-18-32-53(50,51)52/h5-7,9-10,12-15,19-24,26-29H,8,11,16-18,25,30-32H2,1-4H3,(H-,48,49,50,51,52)
InChIKey
HIBVKROMGIHYKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
20
Fraction Csp3
0.33
Rotatable bonds
15
H-bond acceptors
5
H-bond donors
1
Molar refractivity
216.49
TPSA
100.75
LogP / Solubility
WLOGP
9.69
MLOGP
8.59
XLogP3
9.4
Consensus LogP
9.23
Log S (ESOL)
-9.77
Class (ESOL)
Insoluble
Log S (Ali)
-12.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.25
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)
-0.3
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
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