CAS RN: 1219728-20-7
SR7826
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 25mg / 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1219728-20-7
- Purity/Analytical Methods: >99.0%
1219728-20-7 / 1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1-phenylurea
Basic Information
CAS
1219728-20-7
Multi CAS
No
Molecular Formula
C22H21N5O2
Molecular Weight
387.400000
Exact Mass
387.169525
SMILES
CC1=CNC2=NC=NC(=C12)C3=CC=C(C=C3)NC(=O)N(CCO)C4=CC=CC=C4
InChI
InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)
InChIKey
WQAGVQVBDHOHRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
113.95
TPSA
94.14
LogP / Solubility
WLOGP
3.96
MLOGP
3.51
XLogP3
2.8
Consensus LogP
3.42
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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