CAS RN: 2029092-01-9
1,2-Pyrrolidinedicarboxylic acid, 4-(2-oxo-1-piperidinyl)-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4R)-
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.20260120 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2029092-01-9
- Purity/Analytical Methods: >99.0%
2029092-01-9 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2-oxopiperidin-1-yl)pyrrolidine-2-carboxylic acid
Basic Information
CAS
2029092-01-9
Multi CAS
No
Molecular Formula
C25H26N2O5
Molecular Weight
434.500000
Exact Mass
434.184172
SMILES
C1CCN(C(=O)C1)[C@@H]2C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H26N2O5/c28-23-11-5-6-12-26(23)16-13-22(24(29)30)27(14-16)25(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21-22H,5-6,11-15H2,(H,29,30)/t16-,22+/m1/s1
InChIKey
OZYPPABEVVCTLM-ZHRRBRCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
117.17
TPSA
87.15
LogP / Solubility
WLOGP
3.48
MLOGP
3.09
XLogP3
3
Consensus LogP
3.19
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
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
-
4,4′-(2,2-bis(4-bromophenyl)ethene-1,1-diyl)diphenol
- CAS RN: 2029185-29-1
- Product Code: starshine_CAS2029185-29-1
- Purity/Analytical method: >99.0%
-
-
[4′,4”’,4””’-Nitrilotris[([1,1′-biphenyl]-3,5-dicarbaldehyde)]]
- CAS RN: 2030105-85-0
- Product Code: starshine_CAS2030105-85-0
- Purity/Analytical method: >99.0%
-
N3-PEG4-CHO
- CAS RN: 2030118-14-8
- Product Code: starshine_CAS2030118-14-8
- Purity/Analytical method: >99.0%
-
3,4-Dibromo-Mal-PEG4-t-butyl ester
- CAS RN: 2030168-38-6
- Product Code: starshine_CAS2030168-38-6
- Purity/Analytical method: >99.0%
-
![CAS 2030105-85-0 [4′,4”’,4””’-Nitrilotris[([1,1′-biphenyl]-3,5-dicarbaldehyde)]] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2030105-85-0.png)
