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CAS 220498-04-4 FMOC-(R)-3-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 220498-04-4

FMOC-(R)-3-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID

Product Availability

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9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250130 1g In stock Inquiry
Batchno.20250120 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260131 100mg In stock Shanghai Inquiry
Batchno.20250329 10g In stock Shanghai Inquiry
Batchno.20260528 1g In stock Shanghai Inquiry
Batchno.20260606 250mg In stock Shanghai Inquiry
Batchno.20250228 25g In stock Shanghai Inquiry
Batchno.20250527 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250211 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-106082
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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: ≥95%
  • 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 220498-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

220498-04-4 / (3R)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 220498-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220498-04-4
Multi CAS
No
Molecular Formula
C24H20BrNO4
Molecular Weight
466.300000
Exact Mass
465.057570
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKey
GVCLAQFMSVKNKH-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.34
TPSA
75.63

LogP / Solubility

WLOGP
5.5
MLOGP
4.88
XLogP3
4.8
Consensus LogP
5.06
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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