![CAS 1041430-92-5 methyl 6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1041430-92-5.gif)
CAS RN: 1041430-92-5
methyl 6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
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.20250509 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-005911
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1041430-92-5 / methyl 6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
methyl 6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate | methyl 6-oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate | MFCD24612949
Basic Information
CAS
1041430-92-5
Multi CAS
No
Molecular Formula
C9H9NO3
Molecular Weight
179.170000
Exact Mass
179.058243
SMILES
COC(=O)C1=CC2=C(N1)C(=O)CC2
InChI
InChI=1S/C9H9NO3/c1-13-9(12)6-4-5-2-3-7(11)8(5)10-6/h4,10H,2-3H2,1H3
InChIKey
VTYAUBRVWBUQBA-UHFFFAOYSA-N
Synonyms
methyl 6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
methyl 6-oxo-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
MFCD24612949
methyl 6-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylate
Methyl6-oxo-4,5-dihydro-1h-cyclopenta[b]pyrrole-2-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.78
TPSA
59.16
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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