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CAS 17134-17-7 TRIETHYLENE GLYCOL BIS(CHLOROFORMATE) molecular structure lightbox
CAS RN: 17134-17-7

TRIETHYLENE GLYCOL BIS(CHLOROFORMATE)

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250523 1g In stock Inquiry
Batchno.20260615 5g In stock Inquiry
  • Product code: starshine_CAS17134-17-7
  • Purity/Analytical Methods: >99.0%
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17134-17-7 / 2-[2-(2-carbonochloridoyloxyethoxy)ethoxy]ethyl carbonochloridate

Standard CAS: 17134-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17134-17-7
Multi CAS
No
Molecular Formula
C8H12Cl2O6
Molecular Weight
275.080000
Exact Mass
274.001094
SMILES
C(COCCOC(=O)Cl)OCCOC(=O)Cl
InChI
InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2
InChIKey
IFOIGJKHVZBFPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
56.04
TPSA
71.06

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-3.14

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

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