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CAS 1260616-15-6 Fmoc-2,5-difluoro-L-homophenylalanine molecular structure lightbox
CAS RN: 1260616-15-6

Fmoc-2,5-difluoro-L-homophenylalanine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260616-15-6
  • Purity/Analytical Methods: >99.0%
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1260616-15-6 / (2S)-4-(2,5-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Standard CAS: 1260616-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260616-15-6
Multi CAS
No
Molecular Formula
C25H21F2NO4
Molecular Weight
437.400000
Exact Mass
437.143864
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC4=C(C=CC(=C4)F)F)C(=O)O
InChI
InChI=1S/C25H21F2NO4/c26-16-10-11-22(27)15(13-16)9-12-23(24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,10-11,13,21,23H,9,12,14H2,(H,28,31)(H,29,30)/t23-/m0/s1
InChIKey
CMOCQWVOWRXWCO-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.31
TPSA
75.63

LogP / Solubility

WLOGP
4.89
MLOGP
4.33
XLogP3
5.2
Consensus LogP
4.81
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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

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