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CAS 924817-95-8 FMOC-2-AMINO-5-IODOBENZOIC ACID molecular structure lightbox
CAS RN: 924817-95-8

FMOC-2-AMINO-5-IODOBENZOIC ACID

  • Product code: SSC-206140
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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 924817-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

924817-95-8 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodobenzoic acid

Standard CAS: 924817-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
924817-95-8
Multi CAS
No
Molecular Formula
C22H16InO4
Molecular Weight
485.300000
Exact Mass
485.012410
InChI
InChI=1S/C22H16INO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26)
InChIKey
ROLACDNYVXPHFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.81
TPSA
75.63

LogP / Solubility

WLOGP
5.35
MLOGP
4.74
XLogP3
5.3
Consensus LogP
5.13
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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