![CAS 2230200-74-3 Benzoic acid, 4-amino-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230200-74-3.gif)
CAS RN: 2230200-74-3
Benzoic acid, 4-amino-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester
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.20250717 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-108593
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: 0.1g, 0.25g, 1g, 100g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 1 In Stock | Beijing | Inquiry |
2230200-74-3 / methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
Basic Information
CAS
2230200-74-3
Multi CAS
No
Molecular Formula
C12H16N2O3
Molecular Weight
236.270000
Exact Mass
236.116092
SMILES
COC(=O)C1=CC(=C(C=C1)N)NC[C@@H]2CCO2
InChI
InChI=1S/C12H16N2O3/c1-16-12(15)8-2-3-10(13)11(6-8)14-7-9-4-5-17-9/h2-3,6,9,14H,4-5,7,13H2,1H3/t9-/m0/s1
InChIKey
CEYHKCZODRRMMV-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.04
TPSA
73.58
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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