Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
794-94-5 / (4-methoxybenzoyl) 4-methoxybenzoate
Basic Information
CAS
794-94-5
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKey
YGMHIBLUWGDWKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
75.73
TPSA
61.83
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Bis(2-ethylhexyl) 4-Cyclohexene-1,2-dicarboxylate
- CAS RN: 2915-49-3
- Product Code: SSC-131421
-
-
-
2,2′-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
- CAS RN: 41484-35-9
- Product Code: SSC-149914
-
-
Bis(2-ethylhexyl) Itaconate (stabilized with HQ)
- CAS RN: 2287-83-4
- Product Code: ICTI0205
- Purity/Analytical method: >94.0%(GC)
![CAS 41484-35-9 2,2′-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1070-jpgcontextbwfzdgvyfhjvb3r8mze1mdh8aw1hz2uvanblz3xomduvade1lzg5mzi0mja2ode3ntgvvdewnzauanbnfgrjztuymtaynjg4mjbhntaznmmxodmymzjmmguznwq4zgewnzaznwy0zgexzjq0mgzlotjmzdflzwm2mzfmmdk.jpeg)
