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CAS 189337-28-8 FMOC-THR(TBU)-OL molecular structure lightbox
CAS RN: 189337-28-8

FMOC-THR(TBU)-OL

  • Product code: SSC-088482
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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 189337-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

189337-28-8 / 9H-fluoren-9-ylmethyl N-[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate

Standard CAS: 189337-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189337-28-8
Multi CAS
No
Molecular Formula
C23H29NO4
Molecular Weight
383.500000
Exact Mass
383.209658
SMILES
C[C@H]([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
InChI
InChI=1S/C23H29NO4/c1-15(28-23(2,3)4)21(13-25)24-22(26)27-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-21,25H,13-14H2,1-4H3,(H,24,26)/t15-,21-/m1/s1
InChIKey
LBVPBNDGSCZOTB-QVKFZJNVSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.38
TPSA
67.79

LogP / Solubility

WLOGP
4.09
MLOGP
3.62
XLogP3
3.7
Consensus LogP
3.8
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
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)
-2.16

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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