CAS RN: 1297542-52-9
2-Acetyloxazole-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1297542-52-9
- Purity/Analytical Methods: >99.0%
1297542-52-9 / 2-acetyl-1,3-oxazole-4-carboxylic acid
Basic Information
CAS
1297542-52-9
Multi CAS
No
Molecular Formula
C6H5NO4
Molecular Weight
155.110000
Exact Mass
155.021858
SMILES
CC(=O)C1=NC(=CO1)C(=O)O
InChI
InChI=1S/C6H5NO4/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10)
InChIKey
FUUORIMCDRZNGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.47
TPSA
80.4
LogP / Solubility
WLOGP
0.58
MLOGP
0.5
XLogP3
0.2
Consensus LogP
0.43
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3′-Methoxymirificin
- CAS RN: 1297609-29-0
- Product Code: starshine_CAS1297609-29-0
- Purity/Analytical method: >99.0%
-
(1R)- 2,2′,3,3′-tetrahydro-6,6′-di-2-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol
- CAS RN: 1297613-70-7
- Product Code: starshine_CAS1297613-70-7
- Purity/Analytical method: >99.0%
-
(1R)- 6,6′-bis([1,1′-biphenyl]-4-yl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol
- CAS RN: 1297613-71-8
- Product Code: starshine_CAS1297613-71-8
- Purity/Analytical method: >99.0%
-
(11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1297613-72-9
- Product Code: SSC-036617
-
(11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1297613-73-0
- Product Code: starshine_CAS1297613-73-0
- Purity/Analytical method: >99.0%
-
(11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-2-naphthalenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1297613-74-1
- Product Code: SSC-036618
![CAS 1297613-70-7 (1R)- 2,2′,3,3′-tetrahydro-6,6′-di-2-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1297613-70-7.gif)
![CAS 1297613-71-8 (1R)- 6,6′-bis([1,1′-biphenyl]-4-yl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1297613-71-8.gif)
![CAS 1297613-72-9 (11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1297613-72-9.gif)
![CAS 1297613-73-0 (11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1297613-73-0.gif)
![CAS 1297613-74-1 (11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-2-naphthalenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1297613-74-1.gif)