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CAS 1223105-51-8 FMoc-α-Me-Phe(2,6-DiF)-OH molecular structure lightbox
CAS RN: 1223105-51-8

FMoc-α-Me-Phe(2,6-DiF)-OH

  • Product code: SSC-025271
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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 1223105-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1223105-51-8 / (2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid

Standard CAS: 1223105-51-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1223105-51-8
Multi CAS
No
Molecular Formula
C25H21F2NO4
Molecular Weight
437.400000
Exact Mass
437.143864
SMILES
C[C@](CC1=C(C=CC=C1F)F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H21F2NO4/c1-25(23(29)30,13-19-21(26)11-6-12-22(19)27)28-24(31)32-14-20-17-9-4-2-7-15(17)16-8-3-5-10-18(16)20/h2-12,20H,13-14H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKey
MRIVYBRWULFPFJ-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.31
TPSA
75.63

LogP / Solubility

WLOGP
4.89
MLOGP
4.33
XLogP3
5
Consensus LogP
4.74
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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