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CAS 2555-20-6 8-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 2555-20-6

8-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2555-20-6
  • Purity/Analytical Methods: >99.0%
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2555-20-6 / 8-methoxy-2-oxochromene-3-carboxylic acid

Standard CAS: 2555-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2555-20-6
Multi CAS
No
Molecular Formula
C11H8O5
Molecular Weight
220.180000
Exact Mass
220.037173
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
InChIKey
SFAPWVZFUHJZIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56
TPSA
76.74

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
2.2
Consensus LogP
1.67
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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

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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