![CAS 675599-96-9 5H-Cyclopenta[2,1-b:3,4-b]dipyridine,5,5-dimethyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/675599-96-9.gif)
CAS RN: 675599-96-9
5H-Cyclopenta[2,1-b:3,4-b]dipyridine,5,5-dimethyl-(9CI)
- Product code: SSC-177246
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 | Hong Kong | Inquiry |
675599-96-9 / 8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Basic Information
CAS
675599-96-9
Multi CAS
No
Molecular Formula
C13H12N2
Molecular Weight
196.250000
Exact Mass
196.100048
InChI
InChI=1S/C13H12N2/c1-13(2)9-5-3-7-14-11(9)12-10(13)6-4-8-15-12/h3-8H,1-2H3
InChIKey
RQNCACWEFNGDAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.23
H-bond acceptors
2
Molar refractivity
59.6
TPSA
25.78
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-1.94
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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