CAS RN: 1873-88-7

1,1,1,3,5,5,5-Heptamethyltrisiloxane

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13 package records12 with current stock3 grade groups
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Batchno.20260526 100ml In stock Inquiry
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Batchno.20250727 25ml / 100ml / 250ml / 1L / 5L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
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Batchno.20250929 5kg In stock Shanghai Inquiry
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  • Product code: ICTH1267
  • Purity/Analytical Methods: >98.0%(GC)
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1873-88-7 / 1,1,1,3,5,5,5-Heptamethyltrisiloxane

Standard CAS: 1873-88-7 Multi CAS: No

Basic Information

CAS
1873-88-7
Multi CAS
No
Molecular Formula
C7H21O2Si3
Molecular Weight
221.500000
Exact Mass
221.084935
SMILES
C[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1S/C7H21O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h1-7H3
InChIKey
SWGZAKPJNWCPRY-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
60.48
TPSA
18.46

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (29.2%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (70.8%): Flammable liquid and vapor [Warning Flammable liquids] H315 (29.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (29.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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