![CAS 889940-48-1 3-[(methoxyacetyl)amino]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889940-48-1.gif)
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 | Shenzhen | Inquiry |
889940-48-1 / 3-[(2-methoxyacetyl)amino]benzoic acid
Basic Information
CAS
889940-48-1
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c1-15-6-9(12)11-8-4-2-3-7(5-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey
XSGXNDNGNUTXRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.91
TPSA
75.63
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
1.2
Consensus LogP
1.01
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 889943-45-7 1-[6-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]METHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6196080.gif)
