CAS RN: 164161-49-3
Methyl 5-Benzyloxy-4-Methoxy-2-nitrobenzoate
- Product code: SSC-071651
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 0 Out of Stock | Shanghai | Inquiry |
164161-49-3 / methyl 4-methoxy-2-nitro-5-phenylmethoxybenzoate
Basic Information
CAS
164161-49-3
Multi CAS
No
Molecular Formula
C16H15NO6
Molecular Weight
317.290000
Exact Mass
317.089937
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)OCC2=CC=CC=C2
InChI
InChI=1S/C16H15NO6/c1-21-14-9-13(17(19)20)12(16(18)22-2)8-15(14)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey
SHQBNKDRVJNGDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
81.76
TPSA
87.9
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-2.55
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
Customers Also Viewed
-
-
-
AM 630
- CAS RN: 164178-33-0
- Product Code: starshine_CAS164178-33-0
- Purity/Analytical method: >99.0%
-
N-[N-[[(6-deoxy-α-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]- L-tryptophan,sodium salt (1:1)
- CAS RN: 164204-38-0
- Product Code: starshine_CAS164204-38-0
- Purity/Analytical method: >99.0%
-
4-(trans-4-Ethylcyclohexyl)phenylboronic acid
- CAS RN: 164220-57-9
- Product Code: starshine_CAS164220-57-9
- Purity/Analytical method: >99.0%
-
![CAS 164204-38-0 N-[N-[[(6-deoxy-α-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]- L-tryptophan,sodium salt (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164204-38-0.gif)
