CAS RN: 2070015-00-6
GNE-7915 (tosylate)
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.20260124 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2070015-00-6
- Purity/Analytical Methods: >99.0%
2070015-00-6 / [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-methylbenzenesulfonic acid
Basic Information
CAS
2070015-00-6
Multi CAS
No
Molecular Formula
C26H29F4N5O6S
Molecular Weight
615.600000
Exact Mass
615.177467
SMILES
CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OC.CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C19H21F4N5O3.C7H8O3S/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-6-2-4-7(5-3-6)11(8,9)10/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27);2-5H,1H3,(H,8,9,10)
InChIKey
VYAOJDYMEMFZKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
145.15
TPSA
142.98
LogP / Solubility
WLOGP
4.53
MLOGP
4.04
XLogP3
4.53
Consensus LogP
4.37
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
Cetirizine-d8 (hydrochloride)
- CAS RN: 2070015-04-0
- Product Code: starshine_CAS2070015-04-0
- Purity/Analytical method: >99.0%
-
ML 204
- CAS RN: 2070015-10-8
- Product Code: starshine_CAS2070015-10-8
- Purity/Analytical method: >99.0%
-
ML241 (hydrochloride)
- CAS RN: 2070015-13-1
- Product Code: starshine_CAS2070015-13-1
- Purity/Analytical method: >99.0%
-
UNC2025 HCI
- CAS RN: 2070015-17-5
- Product Code: starshine_CAS2070015-17-5
- Purity/Analytical method: >99.0%
-
ILK-IN-2
- CAS RN: 2070015-22-2
- Product Code: starshine_CAS2070015-22-2
- Purity/Analytical method: >99.0%
-
N1,N2-Dimethyl-N1-[[3-[4-[[trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl]oxy]phenyl]-1H-pyrazol-4-yl]methyl]-1,2-ethanediamine hydrochloride
- CAS RN: 2070015-25-5
- Product Code: starshine_CAS2070015-25-5
- Purity/Analytical method: >99.0%
![CAS 2070015-25-5 N1,N2-Dimethyl-N1-[[3-[4-[[trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl]oxy]phenyl]-1H-pyrazol-4-yl]methyl]-1,2-ethanediamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2070015-25-5.png)