![CAS 20073-24-9 ethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20073-24-9.gif)
CAS RN: 20073-24-9
ethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylate
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20073-24-9
- Purity/Analytical Methods: >99.0%
20073-24-9 / ethyl 7-oxofuro[3,2-g]chromene-6-carboxylate
Basic Information
CAS
20073-24-9
Multi CAS
No
Molecular Formula
C14H10O5
Molecular Weight
258.230000
Exact Mass
258.052823
SMILES
CCOC(=O)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
InChI
InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3
InChIKey
CFQAMEDTKHNQTP-UHFFFAOYSA-N
Physical Properties
Physical Description
3-carbethoxypsoralen is a yellow powder. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.21
TPSA
69.65
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.37
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
1.5
