CAS RN: 1234015-57-6
1234015-57-6
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.20250817 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1234015-57-6
- Purity/Analytical Methods: >99.0%
1234015-57-6 / 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;methanesulfonic acid;hydrate
Basic Information
CAS
1234015-57-6
Multi CAS
No
Molecular Formula
C19H25N7O6S
Molecular Weight
479.500000
Exact Mass
479.158703
SMILES
COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.CS(=O)(=O)O.O
InChI
InChI=1S/C18H19N7O2.CH4O3S.H2O/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;1-5(2,3)4;/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);1H3,(H,2,3,4);1H2
InChIKey
LCYWXOLNJNHLGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
4
Molar refractivity
120.86
TPSA
220.63
LogP / Solubility
WLOGP
0.9
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1234271-15-8 4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 1,3-dibromo-5-(2-octyldodecyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234271-15-8.gif)
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