![CAS 1082040-92-3 1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1082040-92-3.gif)
CAS RN: 1082040-92-3
1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid
- Product code: SSC-009430
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1082040-92-3 / 1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid | DTXSID00694625 | 1H-Pyrrolo(3,2-c)pyridine-7-carboxylic acid
Basic Information
CAS
1082040-92-3
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CNC2=C(C=NC=C21)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-9-3-5-1-2-10-7(5)6/h1-4,10H,(H,11,12)
InChIKey
BXIDURGCYCMPAE-UHFFFAOYSA-N
Synonyms
1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid
DTXSID00694625
1H-Pyrrolo(3,2-c)pyridine-7-carboxylic acid
RefChem:240856
DTXCID00645374
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.05
TPSA
65.98
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
0.5
Consensus LogP
0.96
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.81
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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