CAS RN: 1187933-27-2
4-(4-METHOXYPHENYL)PYRROLIDINE-3-METHYLCARBOXYLATE
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.20260129 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187933-27-2
- Purity/Analytical Methods: >99.0%
1187933-27-2 / methyl (3R,4S)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate | Trans-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate | 4-(4-methoxyphenyl)pyrrolidine-3-methylcarboxylate
Basic Information
CAS
1187933-27-2
Multi CAS
Yes
Molecular Formula
C13H17NO3
Molecular Weight
235.280000
Exact Mass
235.120843
SMILES
COC1=CC=C(C=C1)[C@H]2CNC[C@@H]2C(=O)OC
InChI
InChI=1S/C13H17NO3/c1-16-10-5-3-9(4-6-10)11-7-14-8-12(11)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3
InChIKey
YZBHPTZUARKXKZ-UHFFFAOYSA-N
Synonyms
Methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
Trans-methyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
4-(4-methoxyphenyl)pyrrolidine-3-methylcarboxylate
MFCD01862548
DTXSID70391250
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.11
TPSA
47.56
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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