CAS RN: 666749-58-2
1-(4-methoxybenzyl)-4-nitro-1H-imidazole-5-carbaldehyde(WXC06520)
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.20250807 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-176357
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: 0.1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
666749-58-2 / 3-[(4-methoxyphenyl)methyl]-5-nitroimidazole-4-carbaldehyde
Basic Information
CAS
666749-58-2
Multi CAS
No
Molecular Formula
C12H11N3O4
Molecular Weight
261.230000
Exact Mass
261.074956
InChI
InChI=1S/C12H11N3O4/c1-19-10-4-2-9(3-5-10)6-14-8-13-12(15(17)18)11(14)7-16/h2-5,7-8H,6H2,1H3
InChIKey
WUHWNYXEMWMPDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
66.36
TPSA
87.26
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
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 666826-16-0 Bis(1,5-cyclooctadiene)iridium(I)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Bis(1,5-cyclooctadiene)iridium(I)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
- CAS RN: 666826-16-0
- Product Code: SSC-176367
-
BIS(3-TRIETHOXYSILYLPROPYL)POLYETHYLENE OXIDE(25-30EO)
- CAS RN: 666829-33-0
- Product Code: starshine_CAS666829-33-0
- Purity/Analytical method: >99.0%
-
L-Valine, 3-methyl-N-(trifluoroacetyl)- (9CI)
- CAS RN: 666832-71-9
- Product Code: SSC-176368
-
SU 9516
- CAS RN: 666837-93-0
- Product Code: starshine_CAS666837-93-0
- Purity/Analytical method: >99.0%
-
KGA2727
- CAS RN: 666842-36-0
- Product Code: starshine_CAS666842-36-0
- Purity/Analytical method: >99.0%
-
2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine
- CAS RN: 666847-54-7
- Product Code: starshine_CAS666847-54-7
- Purity/Analytical method: >99.0%
![CAS 666826-16-0 Bis(1,5-cyclooctadiene)iridium(I)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666826-16-0.gif)
![CAS 666847-54-7 2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666847-54-7.gif)