CAS RN: 18037-39-3
Dichlorodipentylsilane
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTD2710
- Purity/Analytical Methods: >90.0%(GC)
18037-39-3 / dichloro(dipentyl)silane
Basic Information
CAS
18037-39-3
Multi CAS
No
Molecular Formula
C10H22Cl2Si
Molecular Weight
241.270000
Exact Mass
240.086783
SMILES
CCCCC[Si](CCCCC)(Cl)Cl
InChI
InChI=1S/C10H22Cl2Si/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
InChIKey
QCBOFFVPUUXQEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
Molar refractivity
66.12
TPSA
0.0000
LogP / Solubility
WLOGP
5.29
MLOGP
4.66
XLogP3
5.29
Consensus LogP
5.08
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
