CAS RN: 1802525-61-6
LRRK2 inhibitor 1
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.20251114 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1802525-61-6
- Purity/Analytical Methods: >99.0%
1802525-61-6 / [4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
Basic Information
CAS
1802525-61-6
Multi CAS
No
Molecular Formula
C20H23N5O4
Molecular Weight
397.400000
Exact Mass
397.175004
SMILES
CCOC1=NC(=NC2=C1C=CN2)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)OC
InChI
InChI=1S/C20H23N5O4/c1-3-29-18-14-6-7-21-17(14)23-20(24-18)22-15-5-4-13(12-16(15)27-2)19(26)25-8-10-28-11-9-25/h4-7,12H,3,8-11H2,1-2H3,(H2,21,22,23,24)
InChIKey
OTTOCUYGSZUQOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
108.06
TPSA
101.6
LogP / Solubility
WLOGP
2.58
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1802588-88-0 9-Biphenyl-4-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
9-Biphenyl-4-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole
- CAS RN: 1802588-88-0
- Product Code: starshine_CAS1802588-88-0
- Purity/Analytical method: >99.0%
-
CT-1812
- CAS RN: 1802632-22-9
- Product Code: starshine_CAS1802632-22-9
- Purity/Analytical method: >99.0%
-
-
-
tert-Butyl (S)-3-(Boc-amino)-4-iodobutanoate
- CAS RN: 1802736-56-6
- Product Code: SSC-080695
-
1-(tert-butoxycarbonyl)-4-(cyanomethyl)piperidine-4-carboxylic acid
- CAS RN: 1802790-53-9
- Product Code: SSC-080697
![CAS 1802588-88-0 9-Biphenyl-4-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1802588-88-0.gif)
