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CAS 381222-51-1 N-Fmoc-3,5-dimethoxy-L-phenylalanine molecular structure lightbox
CAS RN: 381222-51-1

N-Fmoc-3,5-dimethoxy-L-phenylalanine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-145629
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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: 0.1g
  • 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 381222-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

381222-51-1 / (2S)-3-(3,5-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 381222-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
381222-51-1
Multi CAS
Yes
Molecular Formula
C26H25NO6
Molecular Weight
447.500000
Exact Mass
447.168188
InChI
InChI=1S/C26H25NO6/c1-31-17-11-16(12-18(14-17)32-2)13-24(25(28)29)27-26(30)33-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-12,14,23-24H,13,15H2,1-2H3,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
HWHGHGFWIGKMJY-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
122.88
TPSA
94.09

LogP / Solubility

WLOGP
4.24
MLOGP
3.76
XLogP3
4.6
Consensus LogP
4.2
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
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)
-2.44

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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