![CAS 480450-68-8 methyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/480450-68-8.gif)
CAS RN: 480450-68-8
methyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate
- Product code: SSC-155027
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 |
480450-68-8 / methyl 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetate
Basic Information
CAS
480450-68-8
Multi CAS
No
Molecular Formula
C8H7CLN2O3
Molecular Weight
214.600000
Exact Mass
214.014520
InChI
InChI=1S/C8H7ClN2O3/c1-14-8(13)7(12)11-6-3-2-5(9)4-10-6/h2-4H,1H3,(H,10,11,12)
InChIKey
QXJJODRMMDQBKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.89
TPSA
68.29
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1.3
Consensus LogP
0.97
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.43
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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![CAS 480450-85-9 Acetic acid, 2-[[(1S,2R,4S)-4-[(dimethylamino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]amino]-2-oxo-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/480450-85-9.gif)
