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CAS 1276562-78-7 FMoc-a-cyclopentyl-DL-glycine molecular structure lightbox
CAS RN: 1276562-78-7

FMoc-a-cyclopentyl-DL-glycine

  • Product code: SSC-035154
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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: ≥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 1276562-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1276562-78-7 / 2-cyclopentyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Standard CAS: 1276562-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276562-78-7
Multi CAS
No
Molecular Formula
C22H23NO4
Molecular Weight
365.400000
Exact Mass
365.162708
SMILES
C1CCC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)20(14-7-1-2-8-14)23-22(26)27-13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,14,19-20H,1-2,7-8,13H2,(H,23,26)(H,24,25)
InChIKey
JGWHUIQSEKGLAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.59
TPSA
75.63

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4.5
Consensus LogP
4.12
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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)
-1.99

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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