CAS RN: 1158891-05-4
(2S,4R)-FMOC-4-BENZYL-PYRROLIDINE-2-CARBOXYLIC ACID
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.20260312 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158891-05-4
- Purity/Analytical Methods: >99.0%
1158891-05-4 / (2S,4R)-4-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Fmoc-(2S,4R)-4-benzyl-pyrrolidine-2-carboxylic acid | FMOC-(2S,4R)-4-BENZYL-PYRROLIDINE-2-CARBOXYLICACID | (2S,4R)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-benzylpyrrolidine-2-carboxylic acid
Basic Information
CAS
1158891-05-4
Multi CAS
Yes
Molecular Formula
C27H25NO4
Molecular Weight
427.500000
Exact Mass
427.178358
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC5=CC=CC=C5
InChI
InChI=1S/C27H25NO4/c29-26(30)25-15-19(14-18-8-2-1-3-9-18)16-28(25)27(31)32-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,25+/m1/s1
InChIKey
TURIFBDQLJNYAM-CLOONOSVSA-N
Synonyms
Fmoc-(2S,4R)-4-benzyl-pyrrolidine-2-carboxylic acid
FMOC-(2S,4R)-4-BENZYL-PYRROLIDINE-2-CARBOXYLICACID
(2S,4R)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-benzylpyrrolidine-2-carboxylic acid
MFCD04115782
(2S,4R)-4-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.45
TPSA
66.84
LogP / Solubility
WLOGP
4.95
MLOGP
4.39
XLogP3
5.2
Consensus LogP
4.85
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
Methyl 2-[methyl(4-pyridinyl)carbamothioylthio]propionate
- CAS RN: 1158958-92-9
- Product Code: starshine_CAS1158958-92-9
- Purity/Analytical method: >99.0%
-
2-Cyanopropan-2-yl N-methyl-N-(pyridin-4-yl)carbamodithioate
- CAS RN: 1158958-96-3
- Product Code: starshine_CAS1158958-96-3
- Purity/Analytical method: >99.0%
-
Acetic acid, 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
- CAS RN: 1158970-52-5
- Product Code: starshine_CAS1158970-52-5
- Purity/Analytical method: >99.0%
-
2-Thiopheneboronic acid MIDA ester
- CAS RN: 1158984-92-9
- Product Code: starshine_CAS1158984-92-9
- Purity/Analytical method: >99.0%
-
5-Bromo-2-(4-methoxybenzyloxy)pyrimidine
- CAS RN: 1159000-88-0
- Product Code: starshine_CAS1159000-88-0
- Purity/Analytical method: >99.0%
![CAS 1158958-92-9 Methyl 2-[methyl(4-pyridinyl)carbamothioylthio]propionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158958-92-9.gif)
![CAS 1158970-52-5 Acetic acid, 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158970-52-5.gif)
