CAS RN: 117186-74-0
(S)-N-(2-Benzoylphenyl)-2-pyrrolidinecarboxamide
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.20260314 | 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS117186-74-0
- Purity/Analytical Methods: >99.0%
117186-74-0 / (2S)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
(S)-N-(2-Benzoylphenyl)pyrrolidine-2-carboxamide | (2S)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide | (S)-N-(2-Benzoylphenyl)-2-pyrrolidinecarboxamide
Basic Information
CAS
117186-74-0
Multi CAS
Yes
Molecular Formula
C18H18N2O2
Molecular Weight
294.300000
Exact Mass
294.136828
SMILES
C1C[C@H](NC1)C(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18(22)16-11-6-12-19-16/h1-5,7-10,16,19H,6,11-12H2,(H,20,22)/t16-/m0/s1
InChIKey
UYECSIRRUVGDMV-INIZCTEOSA-N
Synonyms
(S)-N-(2-Benzoylphenyl)pyrrolidine-2-carboxamide
(2S)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
(S)-N-(2-Benzoylphenyl)-2-pyrrolidinecarboxamide
N-(2-Benzoylphenyl)-L-prolinamide
SCHEMBL15694776
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.97
TPSA
58.2
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
3.1
Consensus LogP
2.67
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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