![CAS 33233-67-9 4-[(tert-Butoxycarbonylamino)methyl]benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4305-jpgcontextbwfzdgvyfhjvb3r8mzy1ndj8aw1hz2uvanblz3xoyjmvadyxlzg5mjkwndm5mzkzntgvqjqzmduuanbnfgm5ntjjmtvlmtkzotrmnthimznlmzg1zjflmgiwnjy0ywvhngq2ngrlotjimdi2mmqxmdq3odbhnwnjndg0ymu.jpeg)
CAS RN: 33233-67-9
4-[(tert-Butoxycarbonylamino)methyl]benzoic Acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-139230
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, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
33233-67-9 / 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
Basic Information
CAS
33233-67-9
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
LNKHBRDWRIIROP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.48
TPSA
75.63
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 13280-60-9 5-Amino-2-nitrobenzoic Acid (Purified) [for γ-GT] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a1048-jpgcontextbwfzdgvyfhjvb3r8mzu1mdf8aw1hz2uvanblz3xootuvada3lzg5mjgynza4mtexnjyvqtewndguanbnfdrhy2qwztvkntmxzdlkztk5mwuxnjlln2jhztjiodkwndyznmjkyzg1mdixmzk4yte1ogu5yzriodq2ogu2mmm.jpeg)
