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CAS 843638-34-6 2-(4,7-DIMETHYL-2-OXO-2H-CHROMEN-5-YLOXY)-PROPIONIC ACID molecular structure lightbox
CAS RN: 843638-34-6

2-(4,7-DIMETHYL-2-OXO-2H-CHROMEN-5-YLOXY)-PROPIONIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS843638-34-6
  • Purity/Analytical Methods: >99.0%
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843638-34-6 / 2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoic acid

Standard CAS: 843638-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
843638-34-6
Multi CAS
No
Molecular Formula
C14H14O5
Molecular Weight
262.260000
Exact Mass
262.084124
InChI
InChI=1S/C14H14O5/c1-7-4-10(18-9(3)14(16)17)13-8(2)6-12(15)19-11(13)5-7/h4-6,9H,1-3H3,(H,16,17)
InChIKey
RRBYJHZOUKCMHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.68
TPSA
76.74

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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