CAS RN: 174568-67-3
TETRAMETHYLRHODAMINE-5-MALEIMIDE
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS174568-67-3
- Purity/Analytical Methods: >99.0%
174568-67-3 / 2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoic acid
Basic Information
CAS
174568-67-3
Multi CAS
No
Molecular Formula
C28H25N3O5
Molecular Weight
483.500000
Exact Mass
483.179421
SMILES
CN(C)C1=CCC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=C(C=C(C=C4)N5C(=O)C=CC5=O)C(=O)O
InChI
InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)
InChIKey
KGFLZYXDJDOIEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
136.92
TPSA
90.39
LogP / Solubility
WLOGP
3.81
MLOGP
3.38
XLogP3
3
Consensus LogP
3.4
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
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)
