![CAS 85464-88-6 dimethyl [1,1′-binaphthalene]-2,2′-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/85464-88-6.png)
CAS RN: 85464-88-6
dimethyl [1,1′-binaphthalene]-2,2′-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.20250907 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND907451
85464-88-6 / methyl 1-(2-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
Basic Information
CAS
85464-88-6
Multi CAS
No
Molecular Formula
C24H18O4
Molecular Weight
370.400000
Exact Mass
370.120509
InChI
InChI=1S/C24H18O4/c1-27-23(25)19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24(26)28-2/h3-14H,1-2H3
InChIKey
IIJQXSWPACKCHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
109.57
TPSA
52.6
LogP / Solubility
WLOGP
5.23
MLOGP
4.63
XLogP3
5.8
Consensus LogP
5.22
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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