CAS RN: 2448172-22-1
BMF-219
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2448172-22-1
- Purity/Analytical Methods: >99.0%
2448172-22-1 / N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
Basic Information
CAS
2448172-22-1
Multi CAS
No
Molecular Formula
C31H34N8O3
Molecular Weight
566.700000
Exact Mass
566.275387
SMILES
C=CC(=O)NC1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6
InChI
InChI=1S/C31H34N8O3/c1-2-28(40)35-24-4-3-11-38(19-24)18-21-9-10-32-27(16-21)31(41)36-23-7-5-22(6-8-23)26-17-25-29(37-26)33-20-34-30(25)39-12-14-42-15-13-39/h2,5-10,16-17,20,24H,1,3-4,11-15,18-19H2,(H,35,40)(H,36,41)(H,33,34,37)/t24-/m1/s1
InChIKey
CPRLHPSXWZTPMC-XMMPIXPASA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
161.19
TPSA
128.37
LogP / Solubility
WLOGP
3.38
MLOGP
3.01
XLogP3
2.8
Consensus LogP
3.06
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 2448173-47-3 Carbamic acid, N-[(3R)-1-[[2-[[[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]amino]carbonyl]-4-pyridinyl]methyl]-3-piperidinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2448173-47-3.gif)
![CAS 2448341-58-8 Thieno[2′,3′:4,5]pyrrolo[1,2-d][1,2,4]triazine-7(8H)-acetamide, N-[3-(diethylamino)propyl]-5,9-dimethyl-8-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2448341-58-8.gif)
