CAS RN: 2514947-01-2
1H-Pyrrole-2,5-dione, 1-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yl)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-120770
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2514947-01-2 / 1-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Basic Information
CAS
2514947-01-2
Multi CAS
No
Molecular Formula
C17H25NO7
Molecular Weight
355.400000
Exact Mass
355.163102
SMILES
C#CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C17H25NO7/c1-2-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-18-16(19)3-4-17(18)20/h1,3-4H,5-15H2
InChIKey
FDILRMVQLSCYMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.65
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
88.79
TPSA
83.53
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.31
XLogP3
-1.1
Consensus LogP
-0.59
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
4,7,10,13,16-Pentaoxaheptadecanoic acid, 17-phenyl-
- CAS RN: 2514948-41-3
- Product Code: SSC-120773
-
1,4-Benzenedicarboxylic acid, 2,5-bis(3-buten-1-yloxy)-, 1,4-dihydrazide
- CAS RN: 2517829-09-1
- Product Code: starshine_CAS2517829-09-1
- Purity/Analytical method: >99.0%
-
Furan, 3-[4-[(2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3S)-
- CAS RN: 2517968-35-1
- Product Code: starshine_CAS2517968-35-1
- Purity/Analytical method: >99.0%
-
Acetamide, N-[7-[(3R)-3-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-1-piperidinyl]heptyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-
- CAS RN: 2519823-34-6
- Product Code: SSC-120914
-
(S)-3-(1-Oxo-5-(piperazin-1-yl)isoindolin-2-yl)piperidine-2,6-dione hydrochloride
- CAS RN: 2520107-65-5
- Product Code: starshine_CAS2520107-65-5
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2522079-79-2
- Product Code: starshine_CAS2522079-79-2
- Purity/Analytical method: >99.0%
![CAS 2517968-35-1 Furan, 3-[4-[(2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2517968-35-1.gif)
![CAS 2519823-34-6 Acetamide, N-[7-[(3R)-3-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-1-piperidinyl]heptyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2519823-34-6.gif)
