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CAS 1260608-07-8 Fmoc-3,4-difluoro-L-homophenylalanine molecular structure lightbox
CAS RN: 1260608-07-8

Fmoc-3,4-difluoro-L-homophenylalanine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 25mg / 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260608-07-8
  • Purity/Analytical Methods: >99.0%
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1260608-07-8 / (2S)-4-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Standard CAS: 1260608-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260608-07-8
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=CC(=C(C=C4)F)F)C(=O)O
InChI
InChI=1S/C25H21F2NO4/c26-21-11-9-15(13-22(21)27)10-12-23(24(29)30)28-25(31)32-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-9,11,13,20,23H,10,12,14H2,(H,28,31)(H,29,30)/t23-/m0/s1
InChIKey
SVHBVIFVZSOURL-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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