CAS RN: 120851-71-0
trans-1-Benzoyl-4-phenyl-L-proline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251025 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS120851-71-0
- Purity/Analytical Methods: >99.0%
120851-71-0 / (2S,4S)-1-benzoyl-4-phenylpyrrolidine-2-carboxylic acid
(Trans)-1-benzoyl-4-phenyl-L-proline | trans-1-Benzoyl-4-phenylpyrrolidine-2-carboxylic acid | SCHEMBL27830634
Basic Information
CAS
120851-71-0
Multi CAS
Yes
Molecular Formula
C18H17NO3
Molecular Weight
295.300000
Exact Mass
295.120843
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c20-17(14-9-5-2-6-10-14)19-12-15(11-16(19)18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16+/m1/s1
InChIKey
NJMASXVCJXPDME-CVEARBPZSA-N
Synonyms
(Trans)-1-benzoyl-4-phenyl-L-proline
trans-1-Benzoyl-4-phenylpyrrolidine-2-carboxylic acid
SCHEMBL27830634
DB-041584
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.7
TPSA
57.61
LogP / Solubility
WLOGP
2.77
MLOGP
2.45
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 120868-66-8 1-[(6-chloropyridin-3-yl)Methyl]iMidazolidin-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[(6-chloropyridin-3-yl)Methyl]iMidazolidin-2-one
- CAS RN: 120868-66-8
- Product Code: starshine_CAS120868-66-8
- Purity/Analytical method: >99.0%
-
-
tert-Butyl 3-allyl-4-oxopyrrolidine-1-carboxylate
- CAS RN: 120871-73-0
- Product Code: SSC-022206
-
Protirelin acetate
- CAS RN: 120876-23-5
- Product Code: starshine_CAS120876-23-5
- Purity/Analytical method: >99.0%
-
Carbamic acid, (1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
- CAS RN: 120881-97-2
- Product Code: SSC-022208
-
BOC-LYS(BOC)-GLY-OH
- CAS RN: 120893-72-3
- Product Code: starshine_CAS120893-72-3
- Purity/Analytical method: >99.0%
![CAS 120868-66-8 1-[(6-chloropyridin-3-yl)Methyl]iMidazolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/120868-66-8.gif)
