CAS RN: 20771-08-8
2-PHENYL-OXAZOLE-4-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: starshine_CAS20771-08-8
- Purity/Analytical Methods: >99.0%
20771-08-8 / 2-phenyl-1,3-oxazole-4-carbaldehyde
Basic Information
CAS
20771-08-8
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC=C(C=C1)C2=NC(=CO2)C=O
InChI
InChI=1S/C10H7NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H
InChIKey
SMJNJCYAIKTNKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.33
TPSA
43.1
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
THYMOL-B-D-GLUCOPYRANOSIDE
- CAS RN: 20772-23-0
- Product Code: starshine_CAS20772-23-0
- Purity/Analytical method: >99.0%
-
4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylic acid ethyl ester
- CAS RN: 207726-35-0
- Product Code: SSC-097738
-
D-GLUCOSE 6-PHOSPHATE, DIPOTASSIUM SALT TRIHYDRATE
- CAS RN: 207727-36-4
- Product Code: SSC-097739
-
-
8-HYDROXYQUINOLINE-BETA-D-GLUCURONIC ACID, SODIUM SALT
- CAS RN: 207728-71-0
- Product Code: starshine_CAS207728-71-0
- Purity/Analytical method: >99.0%
-
Ethyl 1-(Boc-aMino)-3-cyclopentenecarboxylate
- CAS RN: 207729-00-8
- Product Code: SSC-097741
![CAS 207726-35-0 4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207726-35-0.gif)
