![CAS 1397264-16-2 dimethyl 3,3”-dimethoxy-5′-(3-methoxy-4-(methoxycarbonyl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1397264-16-2(2).gif)
CAS RN: 1397264-16-2
dimethyl 3,3”-dimethoxy-5′-(3-methoxy-4-(methoxycarbonyl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1397264-16-2
- Purity/Analytical Methods: >99.0%
1397264-16-2 / methyl 4-[3,5-bis(3-methoxy-4-methoxycarbonylphenyl)phenyl]-2-methoxybenzoate
Basic Information
CAS
1397264-16-2
Multi CAS
No
Molecular Formula
C33H30O9
Molecular Weight
570.600000
Exact Mass
570.188983
SMILES
COC1=C(C=CC(=C1)C2=CC(=CC(=C2)C3=CC(=C(C=C3)C(=O)OC)OC)C4=CC(=C(C=C4)C(=O)OC)OC)C(=O)OC
InChI
InChI=1S/C33H30O9/c1-37-28-16-19(7-10-25(28)31(34)40-4)22-13-23(20-8-11-26(32(35)41-5)29(17-20)38-2)15-24(14-22)21-9-12-27(33(36)42-6)30(18-21)39-3/h7-18H,1-6H3
InChIKey
HRCYRJRHRHDHQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
156.42
TPSA
106.59
LogP / Solubility
WLOGP
6.07
MLOGP
5.39
XLogP3
6.3
Consensus LogP
5.92
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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