CAS RN: 125366-78-1
4,4′-Dihydroxy-3,3′-diformylbiphenyl
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS125366-78-1
- Purity/Analytical Methods: >99.0%
125366-78-1 / 5-(3-formyl-4-hydroxyphenyl)-2-hydroxybenzaldehyde
Basic Information
CAS
125366-78-1
Multi CAS
No
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C=O)C=O)O
InChI
InChI=1S/C14H10O4/c15-7-11-5-9(1-3-13(11)17)10-2-4-14(18)12(6-10)8-16/h1-8,17-18H
InChIKey
DFGFRCNCNPSSDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.98
TPSA
74.6
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.5
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
-
-
-
-
Spiro[cyclopropane-1,5′-[5H]inden]-7′(6’H)-one,6′-hydroxy-2′,4′,6′-trimethyl-, (6’R)-
- CAS RN: 125392-76-9
- Product Code: SSC-030108
-
-
![CAS 125372-22-7 Benzoic acid, 2-[(methylamino)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125372-22-7.gif)
![CAS 125392-76-9 Spiro[cyclopropane-1,5′-[5H]inden]-7′(6’H)-one,6′-hydroxy-2′,4′,6′-trimethyl-, (6’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125392-76-9.gif)
