CAS RN: 626-84-6

Carbonic acid bis(2-methoxyethyl) ester

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS626-84-6
  • Purity/Analytical Methods: >99.0%
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626-84-6 / bis(2-methoxyethyl) carbonate

Standard CAS: 626-84-6 Multi CAS: Yes

Basic Information

CAS
626-84-6
Multi CAS
Yes
Molecular Formula
C7H14O5
Molecular Weight
178.180000
Exact Mass
178.084124
InChI
InChI=1S/C7H14O5/c1-9-3-5-11-7(8)12-6-4-10-2/h3-6H2,1-2H3
InChIKey
STLGQBDVSTWGIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
41.05
TPSA
53.99

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.5

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

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