CAS RN: 137915-37-8

6-O-(Triisopropylsilyl)-D-glucal

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 10mg Out of stock 5-7 business days Inquiry
  • Product code: ICTT1936
  • Purity/Analytical Methods: >95.0%(GC)
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137915-37-8 / (2R,3S,4R)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol

Standard CAS: 137915-37-8 Multi CAS: No

Basic Information

CAS
137915-37-8
Multi CAS
No
Molecular Formula
C15H30O4Si
Molecular Weight
302.480000
Exact Mass
302.191336
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H](C=CO1)O)O
InChI
InChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)19-9-14-15(17)13(16)7-8-18-14/h7-8,10-17H,9H2,1-6H3/t13-,14-,15+/m1/s1
InChIKey
VYZHAYQIZWKLNP-KFWWJZLASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.03
TPSA
58.92

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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