CAS RN: 1144107-78-7
Cyanine7 carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1144107-78-7
- Purity/Analytical Methods: >99.0%
1144107-78-7 / 6-[3,3-dimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indol-1-yl]hexanoate
6-(3,3-DIMETHYL-2-(7-(1,3,3-TRIMETHYL-3H-INDOL-1-IUM-2-YL)HEPTA-2,4,6-TRIEN-1-YLIDENE)INDOLIN-1-YL)HEXANOATE | E85861
Basic Information
CAS
1144107-78-7
Multi CAS
Yes
Molecular Formula
C34H40N2O2
Molecular Weight
508.700000
Exact Mass
508.308979
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)[O-])(C)C)C)C
InChI
InChI=1S/C34H40N2O2/c1-33(2)26-18-13-15-20-28(26)35(5)30(33)22-10-7-6-8-11-23-31-34(3,4)27-19-14-16-21-29(27)36(31)25-17-9-12-24-32(37)38/h6-8,10-11,13-16,18-23H,9,12,17,24-25H2,1-5H3
InChIKey
MQMHUMKZLAOASA-UHFFFAOYSA-N
Synonyms
6-(3,3-DIMETHYL-2-(7-(1,3,3-TRIMETHYL-3H-INDOL-1-IUM-2-YL)HEPTA-2,4,6-TRIEN-1-YLIDENE)INDOLIN-1-YL)HEXANOATE
E85861
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
156.11
TPSA
46.38
LogP / Solubility
WLOGP
6.35
MLOGP
5.63
XLogP3
8.1
Consensus LogP
6.69
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
-1.31
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
4.5
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