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CAS 250695-67-1 N-tert-Butyl-N-Fmoc-glycine molecular structure lightbox
CAS RN: 250695-67-1

N-tert-Butyl-N-Fmoc-glycine

  • Product code: SSC-120589
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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: 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 250695-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

250695-67-1 / 2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid

Standard CAS: 250695-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
250695-67-1
Multi CAS
No
Molecular Formula
C21H23NO4
Molecular Weight
353.400000
Exact Mass
353.162708
SMILES
CC(C)(C)N(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-21(2,3)22(12-19(23)24)20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,12-13H2,1-3H3,(H,23,24)
InChIKey
GIHNDOYEGWHPMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.16
TPSA
66.84

LogP / Solubility

WLOGP
4.12
MLOGP
3.64
XLogP3
3.8
Consensus LogP
3.85
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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