CAS RN: 1619903-54-6
LY2857785
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1619903-54-6
- Purity/Analytical Methods: >99.0%
1619903-54-6 / 4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
Basic Information
CAS
1619903-54-6
Multi CAS
No
Molecular Formula
C26H36N6O
Molecular Weight
448.600000
Exact Mass
448.295060
SMILES
CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3)NC4CCC(CC4)NC5CCOCC5
InChI
InChI=1S/C26H36N6O/c1-17(2)25-22-16-18(4-9-24(22)31-32(25)3)23-10-13-27-26(30-23)29-20-7-5-19(6-8-20)28-21-11-14-33-15-12-21/h4,9-10,13,16-17,19-21,28H,5-8,11-12,14-15H2,1-3H3,(H,27,29,30)
InChIKey
LHIUZPIDLZYPRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
132.47
TPSA
76.89
LogP / Solubility
WLOGP
4.65
MLOGP
4.12
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
2-bromo-1-(3,3-difluorocyclobutyl)ethan-1-one
- CAS RN: 1619911-80-6
- Product Code: SSC-069470
-
3-Pyridinecarboxamide, N-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)-2-pyrazinyl]amino]ethyl]phenyl]-5-methyl-
- CAS RN: 1619931-27-9
- Product Code: SSC-069473
-
9-[1,1′-Biphenyl]-3-yl-9′-phenyl-3,3′-bi-9H-carbazole
- CAS RN: 1619966-75-4
- Product Code: starshine_CAS1619966-75-4
- Purity/Analytical method: >99.0%
-
5,5′-dibromo-3,3′-difluoro-2,2′-bithiophene
- CAS RN: 1619967-08-6
- Product Code: starshine_CAS1619967-08-6
- Purity/Analytical method: >99.0%
-
“Autotaxin inhibitor compound 1(Autotaxin-IN-1)”
- CAS RN: 1619971-30-0
- Product Code: starshine_CAS1619971-30-0
- Purity/Analytical method: >99.0%
-
![CAS 1619931-27-9 3-Pyridinecarboxamide, N-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)-2-pyrazinyl]amino]ethyl]phenyl]-5-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1619931-27-9.gif)
![CAS 1619966-75-4 9-[1,1′-Biphenyl]-3-yl-9′-phenyl-3,3′-bi-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1619966-75-4.gif)
