CAS RN: 322474-09-9
2-methoxy-5-(2-nitroethyl)phenol, 96%(HPLC)
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.20250510 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926945
322474-09-9 / 2-methoxy-5-(2-nitroethyl)phenol
Basic Information
CAS
322474-09-9
Multi CAS
Yes
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
InChI
InChI=1S/C9H11NO4/c1-14-9-3-2-7(6-8(9)11)4-5-10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKey
ITIMUCQQHDXMIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.22
TPSA
72.6
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2246691-80-3 2-methoxy-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-methoxy-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
- CAS RN: 2246691-80-3
- Product Code: LINN908658
-
2-methoxy-N-[3-(tetramethyl-1，3，2-dioxaborolan-2-yl)phenyl]acetamide
- CAS RN: 1853185-35-9
- Product Code: LINN908441
-
2-methoxy-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
- CAS RN: 1036990-20-1
- Product Code: LINN907486
-
2-Methyl 1-(2-methyl-2-propanyl)(2S,4S)-4-[(4-bromophenyl)sulfonyl]oxy-1,2-pyrrolidinedicarboxylate
- CAS RN: 438452-29-0
- Product Code: LINM930008
-
-
2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
- CAS RN: 3832-73-3
- Product Code: SSC-145958
![CAS 2246691-80-3 2-methoxy-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2246691-80-3.png)
![CAS 1853185-35-9 2-methoxy-N-[3-(tetramethyl-1，3，2-dioxaborolan-2-yl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1853185-35-9.png)
![CAS 1036990-20-1 2-methoxy-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1036990-20-1.png)
![CAS 438452-29-0 2-Methyl 1-(2-methyl-2-propanyl)(2S,4S)-4-[(4-bromophenyl)sulfonyl]oxy-1,2-pyrrolidinedicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/438452-29-0.png)
