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CAS 252206-28-3 4-(FMOC-AMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 252206-28-3

4-(FMOC-AMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLIC ACID

  • Product code: SSC-120976
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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 252206-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

252206-28-3 / 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylimidazole-2-carboxylic acid

Standard CAS: 252206-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252206-28-3
Multi CAS
No
Molecular Formula
C20H17N3O4
Molecular Weight
363.400000
Exact Mass
363.121906
SMILES
CN1C=C(N=C1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H17N3O4/c1-23-10-17(21-18(23)19(24)25)22-20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,11H2,1H3,(H,22,26)(H,24,25)
InChIKey
AFUJLUWSTBUALR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.86
TPSA
93.45

LogP / Solubility

WLOGP
3.48
MLOGP
3.08
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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