![CAS 1354801-06-1 5H-Pyrrolo[2,3-b:5,4-c’]dipyridine, 6,7,8,9-tetrahydro-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354801-06-1.gif)
CAS RN: 1354801-06-1
5H-Pyrrolo[2,3-b:5,4-c’]dipyridine, 6,7,8,9-tetrahydro-, hydrochloride
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.20250515 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-043861
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1354801-06-1 / 5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;hydrochloride
Basic Information
CAS
1354801-06-1
Multi CAS
No
Molecular Formula
C10H12ClN3
Molecular Weight
209.670000
Exact Mass
209.071975
SMILES
C1CNCC2=C1C3=C(N2)N=CC=C3.Cl
InChI
InChI=1S/C10H11N3.ClH/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);1H
InChIKey
JMGYEDDZIZBCSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.75
TPSA
40.71
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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