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CAS 388109-23-7 ethyl 4-((ethoxycarbonyl)methoxy)butanoate molecular structure lightbox
CAS RN: 388109-23-7

ethyl 4-((ethoxycarbonyl)methoxy)butanoate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINE926978
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388109-23-7 / ethyl 4-(2-ethoxy-2-oxoethoxy)butanoate

Standard CAS: 388109-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
388109-23-7
Multi CAS
No
Molecular Formula
C10H18O5
Molecular Weight
218.250000
Exact Mass
218.115424
InChI
InChI=1S/C10H18O5/c1-3-14-9(11)6-5-7-13-8-10(12)15-4-2/h3-8H2,1-2H3
InChIKey
MARUSUHTWINCOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
53.32
TPSA
61.83

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3.41

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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