![CAS 134682-54-5 2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134682-54-5.gif)
CAS RN: 134682-54-5
2H-Pyrrolo[3,2-c]pyridin-2-one,1,3-dihydro-(9CI)
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.20250423 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS134682-54-5
- Purity/Analytical Methods: >99.0%
134682-54-5 / 1,3-dihydropyrrolo[3,2-c]pyridin-2-one
Basic Information
CAS
134682-54-5
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1C2=C(C=CN=C2)NC1=O
InChI
InChI=1S/C7H6N2O/c10-7-3-5-4-8-2-1-6(5)9-7/h1-2,4H,3H2,(H,9,10)
InChIKey
YAUVSURSWJMKFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.57
TPSA
41.99
LogP / Solubility
WLOGP
0.58
MLOGP
0.5
XLogP3
-0.3
Consensus LogP
0.26
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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