![CAS 1557267-42-1 N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1557267-42-1.gif)
CAS RN: 1557267-42-1
N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock3 grade groups
- Product code: SSC-064980
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1557267-42-1 / N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
Basic Information
CAS
1557267-42-1
Multi CAS
No
Molecular Formula
C26H26FN7O2
Molecular Weight
487.500000
Exact Mass
487.213201
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F
InChI
InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
InChIKey
UOFYSRZSLXWIQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
138.62
TPSA
98.41
LogP / Solubility
WLOGP
4.51
MLOGP
4
XLogP3
4.2
Consensus LogP
4.24
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
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)
-2.49
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
Customers Also Viewed
-
![CAS 1557268-88-8 N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate
- CAS RN: 1557268-88-8
- Product Code: SSC-064981
-
-
SnAP M Reagent 95%
- CAS RN: 1557288-04-6
- Product Code: starshine_CAS1557288-04-6
- Purity/Analytical method: >99.0%
-
-
5-aMinoiMidazo[1,2-a]pyridine-3-carboxylic acid
- CAS RN: 1557342-69-4
- Product Code: starshine_CAS1557342-69-4
- Purity/Analytical method: >99.0%
-
![CAS 1557268-88-8 N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1557268-88-8.gif)
![CAS 1557342-69-4 5-aMinoiMidazo[1,2-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1557342-69-4.gif)
![CAS 1557344-85-0 2-bromo-3H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1557344-85-0.gif)