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CAS 1217628-46-0 (S)-4-(((9H-Fluoren-9-yl)Methoxy)carbonyl)piperazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1217628-46-0

(S)-4-(((9H-Fluoren-9-yl)Methoxy)carbonyl)piperazine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-024451
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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: 0.1g
  • Available purity: ≥95%
  • 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 1217628-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1217628-46-0 / (2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid

Standard CAS: 1217628-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217628-46-0
Multi CAS
No
Molecular Formula
C20H20N2O4
Molecular Weight
352.400000
Exact Mass
352.142307
SMILES
C1CN(C[C@H](N1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H20N2O4/c23-19(24)18-11-22(10-9-21-18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21H,9-12H2,(H,23,24)/t18-/m0/s1
InChIKey
MVXOLCRCKMWZCB-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.07
TPSA
78.87

LogP / Solubility

WLOGP
2.29
MLOGP
2.04
XLogP3
-0.1
Consensus LogP
1.41
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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