CAS RN: 1650559-73-1
Cyclopropene Cyanine 7 amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250311 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1650559-73-1
- Purity/Analytical Methods: >99.0%
1650559-73-1 / 6-[6-[(2E)-3,3-dimethyl-2-[(2E)-2-[3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]hexanoylamino]hexylazanium dichloride
Basic Information
CAS
1650559-73-1
Multi CAS
No
Molecular Formula
C43H60Cl2N4O
Molecular Weight
719.900000
Exact Mass
718.414418
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCCC(=O)NCCCCCC[NH3+])(C)C)/CCC3)C)C.[Cl-].[Cl-]
InChI
InChI=1S/C43H58N4O.2ClH/c1-42(2)35-20-10-12-22-37(35)46(5)39(42)27-25-33-18-17-19-34(32-33)26-28-40-43(3,4)36-21-11-13-23-38(36)47(40)31-16-8-9-24-41(48)45-30-15-7-6-14-29-44;;/h10-13,20-23,25-28,32H,6-9,14-19,24,29-31,44H2,1-5H3;2*1H
InChIKey
NVDKSBYSJGPWGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.49
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
202.07
TPSA
62.99
LogP / Solubility
WLOGP
2.45
MLOGP
2.22
XLogP3
2.45
Consensus LogP
2.37
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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