![CAS 874013-98-6 1H-Pyrrolo[2,3-c]pyridine, 7-chloro-2,3-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874013-98-6.gif)
CAS RN: 874013-98-6
1H-Pyrrolo[2,3-c]pyridine, 7-chloro-2,3-dimethyl-
- Product code: SSC-197305
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
874013-98-6 / 7-chloro-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
Basic Information
CAS
874013-98-6
Multi CAS
No
Molecular Formula
C9H9CLN2
Molecular Weight
180.630000
Exact Mass
180.045426
InChI
InChI=1S/C9H9ClN2/c1-5-6(2)12-8-7(5)3-4-11-9(8)10/h3-4,12H,1-2H3
InChIKey
UCCNDSDAFBMASX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.58
TPSA
28.68
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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