![CAS 1618682-19-1 1,1′:3′,1”-terphenyl]-3,3”,5,5′,5”-pentacarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1618682-19-1.gif)
CAS RN: 1618682-19-1
1,1′:3′,1”-terphenyl]-3,3”,5,5′,5”-pentacarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1618682-19-1
- Purity/Analytical Methods: >99.0%
1618682-19-1 / 5-[3-carboxy-5-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Basic Information
CAS
1618682-19-1
Multi CAS
No
Molecular Formula
C23H14O10
Molecular Weight
450.300000
Exact Mass
450.058697
SMILES
C1=C(C=C(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O)C3=CC(=CC(=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C23H14O10/c24-19(25)14-2-10(12-4-15(20(26)27)8-16(5-12)21(28)29)1-11(3-14)13-6-17(22(30)31)9-18(7-13)23(32)33/h1-9H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey
LNRIQVXDSPXAHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
5
Molar refractivity
112.11
TPSA
186.5
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
2.8
Consensus LogP
3.14
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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