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CAS 270596-52-6 FMOC-(S)-3-AMINO-4-(3-FLUORO-PHENYL)-BUTYRIC ACID molecular structure lightbox
CAS RN: 270596-52-6

FMOC-(S)-3-AMINO-4-(3-FLUORO-PHENYL)-BUTYRIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-125750
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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 270596-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

270596-52-6 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid

Standard CAS: 270596-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
270596-52-6
Multi CAS
No
Molecular Formula
C25H22FNO4
Molecular Weight
419.400000
Exact Mass
419.153286
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)F)CC(=O)O
InChI
InChI=1S/C25H22FNO4/c26-17-7-5-6-16(12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
InChIKey
ZZCLRFMQVCVNGD-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.35
TPSA
75.63

LogP / Solubility

WLOGP
4.75
MLOGP
4.21
XLogP3
4.7
Consensus LogP
4.55
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-1.91

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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