CAS RN: 19926-50-2
BIPHENYL-3-CARBOXYLIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS19926-50-2
- Purity/Analytical Methods: >99.0%
19926-50-2 / ethyl 3-phenylbenzoate
Basic Information
CAS
19926-50-2
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
CCOC(=O)C1=CC=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-2-17-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKey
UWJOIAKPUPVYPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.83
TPSA
26.3
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
4.3
Consensus LogP
3.65
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-methyl-4-p-tolylpyrimidine
- CAS RN: 19927-61-8
- Product Code: starshine_CAS19927-61-8
- Purity/Analytical method: >99.0%
-
-
3-(2,2,3,3-TETRAFLUOROPROPOXY)-1,2-EPOXYPROPANE
- CAS RN: 19932-26-4
- Product Code: starshine_CAS19932-26-4
- Purity/Analytical method: >99.0%
-
3-(1H,1H,5H-OCTAFLUOROPENTYLOXY)-1,2-EPOXYPROPANE
- CAS RN: 19932-27-5
- Product Code: starshine_CAS19932-27-5
- Purity/Analytical method: >99.0%
-
-
.gif)
.gif)
