![CAS 314743-72-1 (6-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-CYCLOPENTA[C]CHROMEN-7-YLOXY)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/314743-72-1.gif)
CAS RN: 314743-72-1
(6-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-CYCLOPENTA[C]CHROMEN-7-YLOXY)-ACETIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS314743-72-1
- Purity/Analytical Methods: >99.0%
314743-72-1 / 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetic acid
Basic Information
CAS
314743-72-1
Multi CAS
No
Molecular Formula
C15H14O5
Molecular Weight
274.270000
Exact Mass
274.084124
InChI
InChI=1S/C15H14O5/c1-8-12(19-7-13(16)17)6-5-10-9-3-2-4-11(9)15(18)20-14(8)10/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKey
HKXCRPJJBYNWHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.38
TPSA
76.74
LogP / Solubility
WLOGP
2.05
MLOGP
1.82
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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