CAS RN: 121714-22-5
Fluo 3-AM
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock3 grade groups
- Product code: starshine_CAS121714-22-5
- Purity/Analytical Methods: >99.0%
121714-22-5 / acetyloxymethyl 2-[2-[2-[5-[3-(acetyloxymethoxy)-2,7-dichloro-6-oxoxanthen-9-yl]-2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(acetyloxymethoxy)-2-oxoethyl]-4-methylanilino]acetate
Basic Information
CAS
121714-22-5
Multi CAS
No
Molecular Formula
C51H50Cl2N2O23
Molecular Weight
1129.800000
Exact Mass
1128.218141
SMILES
CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)OCOC(=O)C)Cl)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChI
InChI=1S/C51H50Cl2N2O23/c1-28-7-9-39(54(19-47(62)74-24-69-30(3)57)20-48(63)75-25-70-31(4)58)45(13-28)66-11-12-67-46-14-34(8-10-40(46)55(21-49(64)76-26-71-32(5)59)22-50(65)77-27-72-33(6)60)51-35-15-37(52)41(61)17-42(35)78-43-18-44(38(53)16-36(43)51)73-23-68-29(2)56/h7-10,13-18H,11-12,19-27H2,1-6H3
InChIKey
PTPUOMXKXCCSEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
26
Fraction Csp3
0.33
Rotatable bonds
27
H-bond acceptors
25
Molar refractivity
269.32
TPSA
301.08
LogP / Solubility
WLOGP
5.41
MLOGP
4.87
XLogP3
6.6
Consensus LogP
5.63
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-12.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 121734-64-3 1-BENZO[1,3]DIOXOL-5-YL-ETHYLAMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
Furo[2,3-b]pyridine, 2,3-dihydro-6-methyl- (9CI)
- CAS RN: 121743-74-6
- Product Code: SSC-024370
-
2,5-Pyrrolidinedione,1-hydroxy-3-(1-methylethyl)-(9CI)
- CAS RN: 121757-21-9
- Product Code: starshine_CAS121757-21-9
- Purity/Analytical method: >99.0%
-
(1R,2R)-N,N’-DI-P-TOLUENESULFONYL-1,2-DIPHENYL-1,2-ETHYLENEDIAMINE
- CAS RN: 121758-19-8
- Product Code: SSC-024434
-
1,4-Benzenedicarboxylic acid, 2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-, 1,4-dihydrazide
- CAS RN: 121761-43-1
- Product Code: starshine_CAS121761-43-1
- Purity/Analytical method: >99.0%
-
5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-7-DEAZA-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE
- CAS RN: 121767-97-3
- Product Code: starshine_CAS121767-97-3
- Purity/Analytical method: >99.0%
![CAS 121734-64-3 1-BENZO[1,3]DIOXOL-5-YL-ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121734-64-3.gif)
![CAS 121743-74-6 Furo[2,3-b]pyridine, 2,3-dihydro-6-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121743-74-6.gif)
![CAS 121761-43-1 1,4-Benzenedicarboxylic acid, 2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-, 1,4-dihydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121761-43-1.gif)
![CAS 121767-97-3 5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-7-DEAZA-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121767-97-3.gif)