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CAS 70311-20-5 ETHYL 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONATE molecular structure lightbox
CAS RN: 70311-20-5

ETHYL 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70311-20-5
  • Purity/Analytical Methods: >99.0%
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70311-20-5 / ethyl 3-(3,4,5-trimethoxyphenyl)propanoate

Standard CAS: 70311-20-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70311-20-5
Multi CAS
Yes
Molecular Formula
C14H20O5
Molecular Weight
268.300000
Exact Mass
268.131074
InChI
InChI=1S/C14H20O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3
InChIKey
AYBWQZGGKFGQLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
71.05
TPSA
53.99

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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