![CAS 272442-28-1 1H-Pyrrolo[3,2-c]pyridine,5-ethyl-4,5,6,7-tetrahydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/272442-28-1.gif)
CAS RN: 272442-28-1
1H-Pyrrolo[3,2-c]pyridine,5-ethyl-4,5,6,7-tetrahydro-(9CI)
- Product code: SSC-126185
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 | Beijing | Inquiry |
272442-28-1 / 5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
Basic Information
CAS
272442-28-1
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
CCN1CCC2=C(C1)C=CN2
InChI
InChI=1S/C9H14N2/c1-2-11-6-4-9-8(7-11)3-5-10-9/h3,5,10H,2,4,6-7H2,1H3
InChIKey
NUEWYCXBUIOTHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.45
TPSA
19.03
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.65
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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