CAS RN: 1507367-00-1
NCL-00017509
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260531 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1507367-00-1
- Purity/Analytical Methods: >99.0%
1507367-00-1 / 2-[3-[(6-ethynyl-7H-purin-2-yl)amino]phenyl]acetamide
Basic Information
CAS
1507367-00-1
Multi CAS
No
Molecular Formula
C15H12N6O
Molecular Weight
292.300000
Exact Mass
292.107259
SMILES
C#CC1=C2C(=NC(=N1)NC3=CC=CC(=C3)CC(=O)N)N=CN2
InChI
InChI=1S/C15H12N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-4-9(6-10)7-12(16)22/h1,3-6,8H,7H2,(H2,16,22)(H2,17,18,19,20,21)
InChIKey
CJQGLUJHMXCLQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
82.24
TPSA
109.58
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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