CAS RN: 3400-26-8
N-methyl-3-nitrobenzamide
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.20250113 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-140220
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
3400-26-8 / N-methyl-3-nitrobenzamide
Basic Information
CAS
3400-26-8
Multi CAS
Yes
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
InChI
InChI=1S/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
KKNRKRLMGLMZDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.49
TPSA
72.24
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
1.6
Consensus LogP
1.13
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.14
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
-
NSC406902
- CAS RN: 3400-31-5
- Product Code: starshine_CAS3400-31-5
- Purity/Analytical method: >99.0%
-
N-Methylnaphthalene-1-carboxamide
- CAS RN: 3400-33-7
- Product Code: starshine_CAS3400-33-7
- Purity/Analytical method: >99.0%
-
-
Boc-S-benzyl-L-cysteine N-hydroxysuccinimide ester
- CAS RN: 3401-33-0
- Product Code: starshine_CAS3401-33-0
- Purity/Analytical method: >99.0%
-
-
Z-CYS(BZL)-ONP
- CAS RN: 3401-37-4
- Product Code: starshine_CAS3401-37-4
- Purity/Analytical method: >99.0%
