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CAS 1455-42-1 3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane molecular structure lightbox
CAS RN: 1455-42-1

3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100g In stock Shanghai Inquiry
Batchno.20260109 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251012 500g In stock Shanghai Inquiry
Batchno.20250504 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTB1158
  • Purity/Analytical Methods: >98.0%(GC)
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1455-42-1 / 2-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol

Standard CAS: 1455-42-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1455-42-1
Multi CAS
No
Molecular Formula
C15H28O6
Molecular Weight
304.380000
Exact Mass
304.188589
SMILES
CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO
InChI
InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3
InChIKey
BPZIYBJCZRUDEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
75.55
TPSA
77.38

LogP / Solubility

WLOGP
0.76
MLOGP
0.68
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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