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CAS 112913-64-1 FMOC-MET-OSU molecular structure lightbox
CAS RN: 112913-64-1

FMOC-MET-OSU

  • Product code: SSC-013176
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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: >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 112913-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

112913-64-1 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoate

Fmoc-Met-Osu | Fmoc-L-Met-OSu | MFCD00065666

Standard CAS: 112913-64-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112913-64-1
Multi CAS
Yes
Molecular Formula
C24H24N2O6S
Molecular Weight
468.500000
Exact Mass
468.135508
SMILES
CSCC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H24N2O6S/c1-33-13-12-20(23(29)32-26-21(27)10-11-22(26)28)25-24(30)31-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-14H2,1H3,(H,25,30)/t20-/m0/s1
InChIKey
AQHGGWPKXOCXAB-FQEVSTJZSA-N
Synonyms
Fmoc-Met-Osu Fmoc-L-Met-OSu MFCD00065666 (2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoate C24H24N2O6S

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
122.17
TPSA
102.01

LogP / Solubility

WLOGP
3.25
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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