CAS RN: 2097273-59-9
2-((2,6-dimethoxyphenyl)amino)-2-oxoacetic acid(WXC06271)
- Product code: SSC-099528
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2097273-59-9 / 2-(2,6-dimethoxyanilino)-2-oxoacetic acid
Basic Information
CAS
2097273-59-9
Multi CAS
No
Molecular Formula
C10H11NO5
Molecular Weight
225.200000
Exact Mass
225.063722
SMILES
COC1=C(C(=CC=C1)OC)NC(=O)C(=O)O
InChI
InChI=1S/C10H11NO5/c1-15-6-4-3-5-7(16-2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
AULRRTNGXKPSPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.81
TPSA
84.86
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
1
Consensus LogP
0.79
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.58
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
1.5
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