![CAS 184778-33-4 METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/184778-33-4.gif)
CAS RN: 184778-33-4
METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95
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.20250429 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-085410
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
184778-33-4 / methyl 4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
Basic Information
CAS
184778-33-4
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
SMILES
COC(=O)C1=CC=C(C=C1)/C(=N/O)/N
InChI
InChI=1S/C9H10N2O3/c1-14-9(12)7-4-2-6(3-5-7)8(10)11-13/h2-5,13H,1H3,(H2,10,11)
InChIKey
IGHWNCLZGNNKBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.29
TPSA
84.91
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
1.4
Consensus LogP
0.82
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
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
-
-
ethyl (1R,5S)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
- CAS RN: 184838-77-5
- Product Code: SSC-085430
-
1-(4-tert-butyl-1,3-thiazol-2-yl)methanamine(SALTDATA: 2HCl)
- CAS RN: 184839-20-1
- Product Code: SSC-085431
-
CHEMBRDG-BB 5378417
- CAS RN: 184840-72-0
- Product Code: starshine_CAS184840-72-0
- Purity/Analytical method: >99.0%
-
Anhydrosafflor yellow B
- CAS RN: 184840-84-4
- Product Code: starshine_CAS184840-84-4
- Purity/Analytical method: >99.0%
-
![CAS 184838-77-5 ethyl (1R,5S)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/184838-77-5.gif)
