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CAS 198561-81-8 Fmoc-N-methyl-O-benzyl-L-threonine molecular structure lightbox
CAS RN: 198561-81-8

Fmoc-N-methyl-O-benzyl-L-threonine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093573
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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 198561-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

198561-81-8 / (2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylmethoxybutanoic acid

Standard CAS: 198561-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198561-81-8
Multi CAS
No
Molecular Formula
C27H27NO5
Molecular Weight
445.500000
Exact Mass
445.188923
SMILES
C[C@H]([C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
InChI
InChI=1S/C27H27NO5/c1-18(32-16-19-10-4-3-5-11-19)25(26(29)30)28(2)27(31)33-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,18,24-25H,16-17H2,1-2H3,(H,29,30)/t18-,25+/m1/s1
InChIKey
OJELSPMZRJEODW-CJAUYULYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
124.95
TPSA
76.07

LogP / Solubility

WLOGP
4.93
MLOGP
4.36
XLogP3
4.6
Consensus LogP
4.63
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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