CAS RN: 173142-47-7
2H-Pyrrole-2-carboxylicacid,3,4-dihydro-5-methoxy-,methylester,(2S)-(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.20260201 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS173142-47-7
- Purity/Analytical Methods: >99.0%
173142-47-7 / methyl (2S)-5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate
Basic Information
CAS
173142-47-7
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
COC1=N[C@@H](CC1)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-10-6-4-3-5(8-6)7(9)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
LZBWETNXIZOALQ-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
39.48
TPSA
47.89
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.3
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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