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CAS 130277-32-6 1,4-Anhydro-2-deoxy-3-O-[(tert-butyl)diphenylsilyl]-D-erythro-pent-1-enitol molecular structure lightbox
CAS RN: 130277-32-6

1,4-Anhydro-2-deoxy-3-O-[(tert-butyl)diphenylsilyl]-D-erythro-pent-1-enitol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS130277-32-6
  • Purity/Analytical Methods: >99.0%
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130277-32-6 / [(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrofuran-2-yl]methanol

Standard CAS: 130277-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130277-32-6
Multi CAS
No
Molecular Formula
C21H26O3Si
Molecular Weight
354.500000
Exact Mass
354.165121
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C=CO[C@@H]3CO
InChI
InChI=1S/C21H26O3Si/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-19-14-15-23-20(19)16-22/h4-15,19-20,22H,16H2,1-3H3/t19-,20+/m0/s1
InChIKey
KBTVVVZXWWKUKA-VQTJNVASSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.59
TPSA
38.69

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

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
3.5

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