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CAS 1446478-22-3 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-(1,3-thiazol-4-yl)propanoic acid molecular structure lightbox
CAS RN: 1446478-22-3

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-(1,3-thiazol-4-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-055897
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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 1446478-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1446478-22-3 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(1,3-thiazol-4-yl)propanoic acid

Standard CAS: 1446478-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446478-22-3
Multi CAS
No
Molecular Formula
C22H20N2O4S
Molecular Weight
408.500000
Exact Mass
408.114378
SMILES
CN([C@@H](CC1=CSC=N1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H20N2O4S/c1-24(20(21(25)26)10-14-12-29-13-23-14)22(27)28-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12-13,19-20H,10-11H2,1H3,(H,25,26)/t20-/m0/s1
InChIKey
WNURNGNZUJQTEL-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
110.07
TPSA
79.73

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.83
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
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)
-2.36

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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