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CAS 668492-50-0 FMOC-GLY(NHBOC)-OH molecular structure lightbox
CAS RN: 668492-50-0

FMOC-GLY(NHBOC)-OH

  • Product code: SSC-176497
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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: ≥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 668492-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

668492-50-0 / 2,2-bis(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Standard CAS: 668492-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
668492-50-0
Multi CAS
No
Molecular Formula
C32H26N2O6
Molecular Weight
534.600000
Exact Mass
534.179087
InChI
InChI=1S/C32H26N2O6/c35-30(36)29(33-31(37)39-17-27-23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)34-32(38)40-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,27-29H,17-18H2,(H,33,37)(H,34,38)(H,35,36)
InChIKey
GIECFDYTZAMGNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
147.83
TPSA
113.96

LogP / Solubility

WLOGP
5.47
MLOGP
4.86
XLogP3
5.6
Consensus LogP
5.31
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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