CAS RN: 21240-34-6
1,2-DIPHENYLVINYLENE CARBONATE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS21240-34-6
- Purity/Analytical Methods: >99.0%
21240-34-6 / 4,5-diphenyl-1,3-dioxol-2-one
Basic Information
CAS
21240-34-6
Multi CAS
No
Molecular Formula
C15H10O3
Molecular Weight
238.240000
Exact Mass
238.062994
SMILES
C1=CC=C(C=C1)C2=C(OC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C15H10O3/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H
InChIKey
SROHGOJDCAODGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.12
TPSA
43.35
LogP / Solubility
WLOGP
3.57
MLOGP
3.14
XLogP3
3.6
Consensus LogP
3.44
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS21243-15-2
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