CAS RN: 10600-83-6
2,5-Bis(4-hydroxyphenyl)-1,3,4-oxadiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251227 | 100mg | Out of stock | Inquiry |
- Product code: LINB887446
10600-83-6 / 4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
2,5-Bis(4-hydroxyphenyl)-1,3,4-oxadiazole | 4,4'-(1,3,4-Oxadiazole-2,5-diyl)diphenol | 4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Basic Information
CAS
10600-83-6
Multi CAS
No
Molecular Formula
C14H10N2O3
Molecular Weight
254.240000
Exact Mass
254.069142
SMILES
C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C14H10N2O3/c17-11-5-1-9(2-6-11)13-15-16-14(19-13)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKey
BINSWEOIXQQWJW-UHFFFAOYSA-N
Synonyms
2,5-Bis(4-hydroxyphenyl)-1,3,4-oxadiazole
4,4'-(1,3,4-Oxadiazole-2,5-diyl)diphenol
4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
MFCD00488855
Phenol,4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.5
TPSA
79.38
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.4
Consensus LogP
2.56
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4,4′-(1,4-Phenylene)bis(pyridine-2,6-dicarboxylic acid)
- CAS RN: 164173-99-3
- Product Code: LINP914173
-
4,4′-(1-methyl-1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde
- CAS RN: 2092907-94-1
- Product Code: LINH887500
-
4,4′-(2,5-Difluoro-1,4-phenylene)bis(1H-pyrazole)
- CAS RN: 2044270-06-4
- Product Code: LIND914279
-
4,4′-(2,5-Difluoro-1,4-Phenylene)Dipyridine
- CAS RN: 1429342-59-5
- Product Code: LIND887275
-
4,4′-(4-amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid
- CAS RN: 1815596-32-7
- Product Code: SSC-082505
-
4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dibenzaldehyde
- CAS RN: 914651-17-5
- Product Code: LINB887570
![CAS 2092907-94-1 4,4′-(1-methyl-1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2092907-94-1.png)
![CAS 914651-17-5 4,4′-(benzo[c][1,2,5]thiadiazole-4,7-diyl)dibenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/914651-17-5.png)