CAS RN: 2555-37-5
3-acetyl-4-hydroxy-2-benzopyrone
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-121618
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2555-37-5 / 3-acetyl-4-hydroxychromen-2-one
Basic Information
CAS
2555-37-5
Multi CAS
No
Molecular Formula
C11H8O4
Molecular Weight
204.180000
Exact Mass
204.042259
SMILES
CC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,13H,1H3
InChIKey
UTZHUXAPJIBIBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.15
TPSA
67.51
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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
Customers Also Viewed
-
-
N-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBOTHIOYL]BENZENECARBOXAMIDE
- CAS RN: 25561-81-3
- Product Code: starshine_CAS25561-81-3
- Purity/Analytical method: >99.0%
-
-
-
4-(4-fluorophenyl)piperazine-1-carbothioamide
- CAS RN: 25565-70-2
- Product Code: SSC-121640
-
![CAS 25561-81-3 N-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBOTHIOYL]BENZENECARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2245968.gif)
