CAS RN: 174568-68-4
TETRAMETHYLRHODAMINE-6-MALEIMIDE FOR
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS174568-68-4
- Purity/Analytical Methods: >99.0%
174568-68-4 / 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-3-(2,5-dioxopyrrol-1-yl)benzoate
Basic Information
CAS
174568-68-4
Multi CAS
No
Molecular Formula
C28H23N3O5
Molecular Weight
481.500000
Exact Mass
481.163771
SMILES
CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC=C4N5C(=O)C=CC5=O)C(=O)[O-]
InChI
InChI=1S/C28H23N3O5/c1-29(2)16-8-10-18-22(14-16)36-23-15-17(30(3)4)9-11-19(23)26(18)27-20(28(34)35)6-5-7-21(27)31-24(32)12-13-25(31)33/h5-15H,1-4H3
InChIKey
SHKRXDBVQOSKJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
20
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
135.68
TPSA
96.9
LogP / Solubility
WLOGP
2.1
MLOGP
1.88
XLogP3
2.8
Consensus LogP
2.26
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 174575-06-5 1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174575-06-5.gif)
