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CAS 117666-96-3 Fmoc-Bpa-OH molecular structure lightbox
CAS RN: 117666-96-3

Fmoc-Bpa-OH

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250926 1g In stock Inquiry
Batchno.20250425 250mg In stock Inquiry
Batchno.20250527 5g In stock Inquiry
  • Product code: SSC-017509
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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: 5g
  • 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 117666-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

117666-96-3 / (2S)-3-(4-benzoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Fmoc-Bpa-OH | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid | Fmoc-4-benzoyl-L-phenylalanine

Standard CAS: 117666-96-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117666-96-3
Multi CAS
Yes
Molecular Formula
C31H25NO5
Molecular Weight
491.500000
Exact Mass
491.173273
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1
InChIKey
SYOBJKCXNRQOGA-NDEPHWFRSA-N
Synonyms
Fmoc-Bpa-OH (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid Fmoc-4-benzoyl-L-phenylalanine Fmoc-L-4-Benzoylphenylalanine MFCD00151937

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
139.65
TPSA
92.7

LogP / Solubility

WLOGP
5.45
MLOGP
4.83
XLogP3
6
Consensus LogP
5.43
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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