![CAS 70331-94-1 [Oxalylbis(azanediyl)]bis(ethane-2,1-diyl) Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/o0526-jpgcontextbwfzdgvyfhjvb3r8mju4odd8aw1hz2uvanblz3xozwqvadu3lzg5mze4ndu3mzq0mzavtza1mjyuanbnfgfiyzi5yjzhotbmyzg3ndu4nzu0ytjjytawnjixzjrlyti3odrkythmntkxnzu1odniyjdmngq4njc1ytfindi.jpeg)
CAS RN: 70331-94-1
[Oxalylbis(azanediyl)]bis(ethane-2,1-diyl) Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
- Product code: SSC-180144
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: 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
70331-94-1 / 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Basic Information
CAS
70331-94-1
Multi CAS
Yes
Molecular Formula
C40H60N2O8
Molecular Weight
696.900000
Exact Mass
696.434967
InChI
InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)
InChIKey
OXWDLAHVJDUQJM-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
4
Molar refractivity
195.59
TPSA
151.26
LogP / Solubility
WLOGP
6.17
MLOGP
5.49
XLogP3
8.8
Consensus LogP
6.82
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 23128-74-7 N,N’-(Hexane-1,6-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N,N’-(Hexane-1,6-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide]
- CAS RN: 23128-74-7
- Product Code: SSC-112619
-
Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate
- CAS RN: 67845-93-6
- Product Code: SSC-177600
-
-
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diylbis(2-methylpropane-2,1-diyl) Bis[3-[3-(tert-butyl)-4-hydroxy-5-methylphenyl]propanoate]
- CAS RN: 90498-90-1
- Product Code: SSC-203020
-
Stearyl 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate
- CAS RN: 2082-79-3
- Product Code: SSC-097919
-
2,4,6-Tris(2,4-dihydroxyphenyl)-1,3,5-triazine
- CAS RN: 2125-23-7
- Product Code: SSC-101484
![CAS 23128-74-7 N,N’-(Hexane-1,6-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1704-jpgcontextbwfzdgvyfhjvb3r8mju4mtd8aw1hz2uvanblz3xoodmvagvllzg5mzewndaxnju5mtgvsde3mdquanbnfdfizme5yjiwzju5nzmxymi3zwuyogm2y2i2ywyxyjcwzwe1odc5ymy4yjmznzi3yjdiyjnhnge3ytczyza5zte.jpeg)
![CAS 90498-90-1 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diylbis(2-methylpropane-2,1-diyl) Bis[3-[3-(tert-butyl)-4-hydroxy-5-methylphenyl]propanoate] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3804-jpgcontextbwfzdgvyfhjvb3r8mjgxnzf8aw1hz2uvanblz3xonzyvagfilzg5mzi3mjm5mty4mzavvdm4mdquanbnfgvkodq5mtcynjq0nwe3zjk5nmzmmdfmyzu2ndgzodllntc4mmywytyzzmeymjq2mzc5zjcwnmi4otqymwvknti.jpeg)
