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CAS 1217728-65-8 FMOC-L-2,4-DIMETHYLPHE molecular structure lightbox
CAS RN: 1217728-65-8

FMOC-L-2,4-DIMETHYLPHE

  • Product code: SSC-024501
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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 1217728-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1217728-65-8 / (2S)-3-(2,4-dimethylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 1217728-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217728-65-8
Multi CAS
No
Molecular Formula
C26H25NO4
Molecular Weight
415.500000
Exact Mass
415.178358
SMILES
CC1=CC(=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
InChI
InChI=1S/C26H25NO4/c1-16-11-12-18(17(2)13-16)14-24(25(28)29)27-26(30)31-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23-24H,14-15H2,1-2H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
MXBSNHLSKRVUBF-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.25
TPSA
75.63

LogP / Solubility

WLOGP
4.84
MLOGP
4.28
XLogP3
5.4
Consensus LogP
4.84
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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