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CAS 204384-67-8 FMOC-D, L-NORTYR(TBU) molecular structure lightbox
CAS RN: 204384-67-8

FMOC-D, L-NORTYR(TBU)

  • Product code: SSC-096146
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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 204384-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

204384-67-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid

Standard CAS: 204384-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204384-67-8
Multi CAS
No
Molecular Formula
C27H27NO5
Molecular Weight
445.500000
Exact Mass
445.188923
SMILES
CC(C)(C)OC1=CC=C(C=C1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO5/c1-27(2,3)33-18-14-12-17(13-15-18)24(25(29)30)28-26(31)32-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-15,23-24H,16H2,1-3H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKey
WWZXXXPJDRUVOE-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.4
TPSA
84.86

LogP / Solubility

WLOGP
5.53
MLOGP
4.89
XLogP3
5.3
Consensus LogP
5.24
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

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