CAS RN: 1643979-88-7
5-Methoxy-4-((4-Methoxybenzyl)oxy)-2-nitrobenzoic acid
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250513 | 100g | In stock | Shenzhen, Tianjin | Inquiry |
| Batchno.20260523 | 10g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260217 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250715 | 25g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260214 | 500g | Out of stock | Inquiry | |
| Batchno.20250605 | 5g | Out of stock | Inquiry |
- Product code: SSC-071832
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1643979-88-7 / 5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzoic acid
Basic Information
CAS
1643979-88-7
Multi CAS
No
Molecular Formula
C16H15NO7
Molecular Weight
333.290000
Exact Mass
333.084852
SMILES
COC1=CC=C(C=C1)COC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC
InChI
InChI=1S/C16H15NO7/c1-22-11-5-3-10(4-6-11)9-24-15-8-13(17(20)21)12(16(18)19)7-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKey
HIVYTFMZOHFGAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.93
TPSA
108.13
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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