CAS RN: 1334671-66-7
(2S,4S)-1,2-Pyrrolidinedicarboxylic acid, 4-(phenylmethyl)-
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.20250610 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-040257
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1334671-66-7 / (2S,4S)-4-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Basic Information
CAS
1334671-66-7
Multi CAS
No
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-/m0/s1
InChIKey
TURIFBDQLJNYAM-DFBJGRDBSA-N
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
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