CAS RN: 1449612-07-0
Cy5.5 carboxylic acid
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250125 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251008 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251025 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250126 | 1g | Out of stock | Inquiry | ||
| Batchno.20260419 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251003 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251225 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250227 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1449612-07-0
- Purity/Analytical Methods: >99.0%
1449612-07-0 / 6-[(2E)-1,1-dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoate
Basic Information
CAS
1449612-07-0
Multi CAS
No
Molecular Formula
C40H42N2O2
Molecular Weight
582.800000
Exact Mass
582.324629
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)[O-])C=CC6=CC=CC=C65)(C)C)C
InChI
InChI=1S/C40H42N2O2/c1-39(2)34(41(5)32-25-23-28-16-11-13-18-30(28)37(32)39)20-8-6-9-21-35-40(3,4)38-31-19-14-12-17-29(31)24-26-33(38)42(35)27-15-7-10-22-36(43)44/h6,8-9,11-14,16-21,23-26H,7,10,15,22,27H2,1-5H3
InChIKey
MQFHWNVLHOOSOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
20
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
181.98
TPSA
46.38
LogP / Solubility
WLOGP
8.1
MLOGP
7.18
XLogP3
10
Consensus LogP
8.43
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-10.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.25
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)
-0.52
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
5.5
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