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CAS 15378-02-6 2-(3-METHOXYPHENYL)SUCCINIC ACID molecular structure lightbox
CAS RN: 15378-02-6

2-(3-METHOXYPHENYL)SUCCINIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS15378-02-6
  • Purity/Analytical Methods: >99.0%
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15378-02-6 / 2-(3-methoxyphenyl)butanedioic acid

Standard CAS: 15378-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15378-02-6
Multi CAS
No
Molecular Formula
C11H12O5
Molecular Weight
224.210000
Exact Mass
224.068473
SMILES
COC1=CC=CC(=C1)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C11H12O5/c1-16-8-4-2-3-7(5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
DFRXNLZHJFZSSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.62
TPSA
83.83

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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