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CAS 1253792-21-0 N-Fmoc-2,5-difluoro-D-phenylalanine molecular structure lightbox
CAS RN: 1253792-21-0

N-Fmoc-2,5-difluoro-D-phenylalanine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-030087
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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: 0.25g
  • 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 1253792-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1253792-21-0 / (2R)-3-(2,5-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 1253792-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253792-21-0
Multi CAS
No
Molecular Formula
C24H19F2NO4
Molecular Weight
423.400000
Exact Mass
423.128214
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=C(C=CC(=C4)F)F)C(=O)O
InChI
InChI=1S/C24H19F2NO4/c25-15-9-10-21(26)14(11-15)12-22(23(28)29)27-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
VLGUITFILRLIFL-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.69
TPSA
75.63

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
4.8
Consensus LogP
4.43
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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)
-2.11

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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