CAS RN: 94686-82-5
di-n-butyl naphthalene-2,6-dicarboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260528 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250812 | 25g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250915 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS94686-82-5
- Purity/Analytical Methods: >99.0%
94686-82-5 / dibutyl naphthalene-2,6-dicarboxylate
Basic Information
CAS
94686-82-5
Multi CAS
No
Molecular Formula
C20H24O4
Molecular Weight
328.400000
Exact Mass
328.167459
InChI
InChI=1S/C20H24O4/c1-3-5-11-23-19(21)17-9-7-16-14-18(10-8-15(16)13-17)20(22)24-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey
PCFNKFGGJYQMTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
94.33
TPSA
52.6
LogP / Solubility
WLOGP
4.75
MLOGP
4.2
XLogP3
6.8
Consensus LogP
5.25
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
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
No
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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