![CAS 1039356-95-0 3-ForMyliMidazo[1,5-a]pyridine-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1039356-95-0.gif)
CAS RN: 1039356-95-0
3-ForMyliMidazo[1,5-a]pyridine-1-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1039356-95-0
- Purity/Analytical Methods: >99.0%
1039356-95-0 / methyl 3-formylimidazo[1,5-a]pyridine-1-carboxylate
methyl 3-formylimidazo[1,5-a]pyridine-1-carboxylate | Methyl 3-formylimidazo(1,5-a)pyridine-1-carboxylate | RefChem:355016
Basic Information
CAS
1039356-95-0
Multi CAS
Yes
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
COC(=O)C1=C2C=CC=CN2C(=N1)C=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)9-7-4-2-3-5-12(7)8(6-13)11-9/h2-6H,1H3
InChIKey
JAECLEINWMZAOD-UHFFFAOYSA-N
Synonyms
methyl 3-formylimidazo[1,5-a]pyridine-1-carboxylate
Methyl 3-formylimidazo(1,5-a)pyridine-1-carboxylate
RefChem:355016
873-530-0
3-FORMYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID METHYL ESTER
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
51.92
TPSA
60.67
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1.8
Consensus LogP
1.18
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately 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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
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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