CAS RN: 1190332-25-2
EB 47
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.20250501 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1190332-25-2
- Purity/Analytical Methods: >99.0%
1190332-25-2 / 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-N-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide;dihydrochloride
5'-Deoxy-5'-(4-(2-((2,3-Dihydro-1-oxo-1H-isoindol-4-yl)amino)-2-oxoethyl)-1-piperazinyl)-5'-oxoadenosine dihydrochloride | 5'-Deoxy-5'-[4-[2-[(2,3-dihydro-1-oxo-1H-isoindol-4-yl)amino]-2-oxoethyl]-1-piperazinyl]-5'-oxoadenosine Dihydrochloride | RefChem:912866
Basic Information
CAS
1190332-25-2
Multi CAS
Yes
Molecular Formula
C24H29Cl2N9O6
Molecular Weight
610.400000
Exact Mass
609.161785
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC3=C2CNC3=O)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O.Cl.Cl
InChI
InChI=1S/C24H27N9O6.2ClH/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37;;/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28);2*1H/t17-,18+,19-,24+;;/m0../s1
InChIKey
VVMQSDIMNDTMII-MYXHFVDASA-N
Synonyms
5'-Deoxy-5'-(4-(2-((2,3-Dihydro-1-oxo-1H-isoindol-4-yl)amino)-2-oxoethyl)-1-piperazinyl)-5'-oxoadenosine dihydrochloride
5'-Deoxy-5'-[4-[2-[(2,3-dihydro-1-oxo-1H-isoindol-4-yl)amino]-2-oxoethyl]-1-piperazinyl]-5'-oxoadenosine Dihydrochloride
RefChem:912866
EB-47 dihydrochloride
EB-47 (dihydrochloride)
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
5
Molar refractivity
149.42
TPSA
201.06
LogP / Solubility
WLOGP
-1.1
MLOGP
-0.92
XLogP3
-1.1
Consensus LogP
-1.04
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
![CAS 1190363-44-0 (9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
- CAS RN: 1190363-44-0
- Product Code: SSC-019473
-
(R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-onehydrochloride
- CAS RN: 1190363-45-1
- Product Code: SSC-019474
-
(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one
- CAS RN: 1190363-46-2
- Product Code: SSC-019475
-
4-nitrophenyl 4-(2,3-dihydro-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
- CAS RN: 1190363-91-7
- Product Code: SSC-019477
-
4,4,5,5-Tetramethyl-2-(4-phenylethynyl)[1,3,2]dioxaborolane
- CAS RN: 1190376-20-5
- Product Code: SSC-019479
-
N-[3-[[5-Cyclopropyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide
- CAS RN: 1190378-57-4
- Product Code: SSC-019480
![CAS 1190363-44-0 (9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190363-44-0.gif)
![CAS 1190363-45-1 (R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-onehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190363-45-1.gif)
![CAS 1190363-46-2 (6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190363-46-2.gif)
![CAS 1190363-91-7 4-nitrophenyl 4-(2,3-dihydro-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190363-91-7.gif)
![CAS 1190376-20-5 4,4,5,5-Tetramethyl-2-(4-phenylethynyl)[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190376-20-5.gif)
![CAS 1190378-57-4 N-[3-[[5-Cyclopropyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190378-57-4.gif)