CAS RN: 58068-85-2
DMABA NHS ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260429 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS58068-85-2
- Purity/Analytical Methods: >99.0%
58068-85-2 / (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)benzoate
Basic Information
CAS
58068-85-2
Multi CAS
No
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
InChI
InChI=1S/C13H14N2O4/c1-14(2)10-5-3-9(4-6-10)13(18)19-15-11(16)7-8-12(15)17/h3-6H,7-8H2,1-2H3
InChIKey
FNGFZOAQGYOQTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
67.27
TPSA
66.92
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 58068-97-6 N-[3-(TRIETHOXYSILYL)PROPYL]-4,5-DIHYDROIMIDAZOLE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[3-(TRIETHOXYSILYL)PROPYL]-4,5-DIHYDROIMIDAZOLE
- CAS RN: 58068-97-6
- Product Code: SSC-166268
-
3-Octylpyridine
- CAS RN: 58069-37-7
- Product Code: starshine_CAS58069-37-7
- Purity/Analytical method: >99.0%
-
-
3-PENTYN-2-OL
- CAS RN: 58072-60-9
- Product Code: starshine_CAS58072-60-9
- Purity/Analytical method: >99.0%
-
(endo,anti)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
- CAS RN: 58073-59-9
- Product Code: starshine_CAS58073-59-9
- Purity/Analytical method: >99.0%
-
![CAS 58068-97-6 N-[3-(TRIETHOXYSILYL)PROPYL]-4,5-DIHYDROIMIDAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58068-97-6.gif)
![CAS 58073-59-9 (endo,anti)-(±)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58073-59-9.gif)
