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CAS 882847-07-6 3-(FMOC-4-AMINOPHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 882847-07-6

3-(FMOC-4-AMINOPHENYL)-PROPIONIC ACID

  • Product code: SSC-198834
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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 882847-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

882847-07-6 / 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]propanoic acid

Standard CAS: 882847-07-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
882847-07-6
Multi CAS
Yes
Molecular Formula
C24H21NO4
Molecular Weight
387.400000
Exact Mass
387.147058
InChI
InChI=1S/C24H21NO4/c26-23(27)14-11-16-9-12-17(13-10-16)25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,22H,11,14-15H2,(H,25,28)(H,26,27)
InChIKey
KPJLWYDRVBUVDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
111.09
TPSA
75.63

LogP / Solubility

WLOGP
5.06
MLOGP
4.48
XLogP3
4.4
Consensus LogP
4.65
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
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)
-1.49

Drug-likeness / Medicinal Chemistry

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

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