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CAS 885271-74-9 7-METHOXY-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 885271-74-9

7-METHOXY-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885271-74-9
  • Purity/Analytical Methods: >99.0%
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885271-74-9 / methyl 7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate

Standard CAS: 885271-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885271-74-9
Multi CAS
No
Molecular Formula
C12H14O4
Molecular Weight
222.240000
Exact Mass
222.089209
InChI
InChI=1S/C12H14O4/c1-14-10-4-3-8-5-9(12(13)15-2)7-16-11(8)6-10/h3-4,6,9H,5,7H2,1-2H3
InChIKey
DZDQMJYLWYDQAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
57.7
TPSA
44.76

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.07

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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