[email protected]
CAS 1446785-28-9 2-O-benzoyl-3-O-t-butyldiphenylsilyl-L-threonolactone molecular structure lightbox
CAS RN: 1446785-28-9

2-O-benzoyl-3-O-t-butyldiphenylsilyl-L-threonolactone

  • Product code: SSC-055937
GET A QUOTE
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
Request Bulk Quote

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 1446785-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1446785-28-9 / [(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-oxooxolan-3-yl] benzoate

Standard CAS: 1446785-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1446785-28-9
Multi CAS
No
Molecular Formula
C27H28O5Si
Molecular Weight
460.600000
Exact Mass
460.170601
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3COC(=O)[C@@H]3OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H28O5Si/c1-27(2,3)33(21-15-9-5-10-16-21,22-17-11-6-12-18-22)32-23-19-30-26(29)24(23)31-25(28)20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3/t23-,24+/m0/s1
InChIKey
GUODUPSDXSKDBC-BJKOFHAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
129.1
TPSA
61.83

LogP / Solubility

WLOGP
3.71
MLOGP
3.3
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.46
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

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
4

Customers Also Viewed

Get In Touch

Contact Us