![CAS 1354893-21-2 6,7,8,9-Tetrahydro-5H-pyrrolo[2,3-b:5,4-c’]dipyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1354893-21-2.png)
CAS RN: 1354893-21-2
6,7,8,9-Tetrahydro-5H-pyrrolo[2,3-b:5,4-c’]dipyridine
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.20250407 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: LINT898599
1354893-21-2 / 5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
Basic Information
CAS
1354893-21-2
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
SMILES
C1CNCC2=C1C3=C(N2)N=CC=C3
InChI
InChI=1S/C10H11N3/c1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1/h1-2,4,11H,3,5-6H2,(H,12,13)
InChIKey
NERRGHOQSMUIJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.5
TPSA
40.71
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.02
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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