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CAS 269078-71-9 (2S,4S)-FMOC-4-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 269078-71-9

(2S,4S)-FMOC-4-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-125326
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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: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 269078-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

269078-71-9 / (2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid

Standard CAS: 269078-71-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
269078-71-9
Multi CAS
No
Molecular Formula
C26H23NO4
Molecular Weight
413.500000
Exact Mass
413.162708
SMILES
C1C[C@H](N([C@H]1C2=CC=CC=C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C26H23NO4/c28-25(29)24-15-14-23(17-8-2-1-3-9-17)27(24)26(30)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-24H,14-16H2,(H,28,29)/t23-,24+/m1/s1
InChIKey
JEEBFSSXASHKSF-RPWUZVMVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
116.75
TPSA
66.84

LogP / Solubility

WLOGP
5.23
MLOGP
4.62
XLogP3
4.9
Consensus LogP
4.92
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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