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CAS 206759-97-9 Poly(styrene-co-divinylbenzene), 2 Percent Cross-linked, 100-200 Mesh molecular structure lightbox
CAS RN: 206759-97-9

Poly(styrene-co-divinylbenzene), 2 Percent Cross-linked, 100-200 Mesh

  • Product code: SSC-097379
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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 206759-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

206759-97-9 / tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate

Standard CAS: 206759-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206759-97-9
Multi CAS
No
Molecular Formula
C24H27NO5
Molecular Weight
409.500000
Exact Mass
409.188923
SMILES
CC(C)(C)OC(=O)CC[C@@H](C=O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO5/c1-24(2,3)30-22(27)13-12-16(14-26)25-23(28)29-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,14,16,21H,12-13,15H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKey
BCIPGSZQUDLGSY-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
113.14
TPSA
81.7

LogP / Solubility

WLOGP
4.21
MLOGP
3.73
XLogP3
3.8
Consensus LogP
3.91
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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)
-2.23

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

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