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CAS 160450-10-2 Fmoc-His-OMe molecular structure lightbox
CAS RN: 160450-10-2

Fmoc-His-OMe

  • Product code: SSC-068418
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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 160450-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

160450-10-2 / methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoate

Standard CAS: 160450-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160450-10-2
Multi CAS
No
Molecular Formula
C22H21N3O4
Molecular Weight
391.400000
Exact Mass
391.153206
SMILES
COC(=O)[C@H](CC1=CN=CN1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21N3O4/c1-28-21(26)20(10-14-11-23-13-24-14)25-22(27)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,11,13,19-20H,10,12H2,1H3,(H,23,24)(H,25,27)/t20-/m0/s1
InChIKey
YJYNUBXPJQOMJC-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
2
Molar refractivity
106.3
TPSA
93.31

LogP / Solubility

WLOGP
3.03
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.94
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

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)
-2.95

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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