CAS RN: 698985-06-7
Methyl 4-((2-Methoxy-2-oxoethyl)aMino)-3-nitrobenzoate
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.20260305 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS698985-06-7
- Purity/Analytical Methods: >99.0%
698985-06-7 / methyl 4-[(2-methoxy-2-oxoethyl)amino]-3-nitrobenzoate
Basic Information
CAS
698985-06-7
Multi CAS
No
Molecular Formula
C11H12N2O6
Molecular Weight
268.220000
Exact Mass
268.069536
InChI
InChI=1S/C11H12N2O6/c1-18-10(14)6-12-8-4-3-7(11(15)19-2)5-9(8)13(16)17/h3-5,12H,6H2,1-2H3
InChIKey
WABUYJXRDJWTKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
64.94
TPSA
107.77
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
2.1
Consensus LogP
1.31
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
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 698985-51-2 7-fluoro-5-nitro-2,3-dihydrobenzo[b][1,4]dioxine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-fluoro-5-nitro-2,3-dihydrobenzo[b][1,4]dioxine
- CAS RN: 698985-51-2
- Product Code: SSC-179657
-
7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-amine
- CAS RN: 698985-54-5
- Product Code: SSC-179658
-
-
5′-CHLORO-5′-DEOXYADENOSINE HYDRATE
- CAS RN: 698999-09-6
- Product Code: starshine_CAS698999-09-6
- Purity/Analytical method: >99.0%
-
(3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
- CAS RN: 698999-19-8
- Product Code: SSC-179660
-
![CAS 698985-51-2 7-fluoro-5-nitro-2,3-dihydrobenzo[b][1,4]dioxine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/698985-51-2.gif)
![CAS 698985-54-5 7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/698985-54-5.gif)
![CAS 698999-19-8 (3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/698999-19-8.gif)
