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CAS 828254-16-6 FMoc-(R)-3-aMino-2-benzylpropanoic acid molecular structure lightbox
CAS RN: 828254-16-6

FMoc-(R)-3-aMino-2-benzylpropanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-190860
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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: 0.25g
  • 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 828254-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

828254-16-6 / (2S)-2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 828254-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
828254-16-6
Multi CAS
Yes
Molecular Formula
C25H23NO4
Molecular Weight
401.500000
Exact Mass
401.162708
InChI
InChI=1S/C25H23NO4/c27-24(28)18(14-17-8-2-1-3-9-17)15-26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKey
NZMKXKRMTSBQFS-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.34
TPSA
75.63

LogP / Solubility

WLOGP
4.47
MLOGP
3.96
XLogP3
4.5
Consensus LogP
4.31
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-2

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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