CAS RN: 1265964-87-1
4-(MorpholinoMethyl)-1H-pyrrole-2-carbaldehyde
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.20250225 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1265964-87-1
- Purity/Analytical Methods: >99.0%
1265964-87-1 / 4-(morpholin-4-ylmethyl)-1H-pyrrole-2-carbaldehyde
Basic Information
CAS
1265964-87-1
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
C1COCCN1CC2=CNC(=C2)C=O
InChI
InChI=1S/C10H14N2O2/c13-8-10-5-9(6-11-10)7-12-1-3-14-4-2-12/h5-6,8,11H,1-4,7H2
InChIKey
PHQUVWAXOLMNRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.28
TPSA
45.33
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
Consensus LogP
0.41
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.44
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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