![CAS 575484-83-2 6-(2-chloro-5-fluoropyriMidin-4-ylaMino)-2,2-diMethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/575484-83-2.gif)
CAS RN: 575484-83-2
6-(2-chloro-5-fluoropyriMidin-4-ylaMino)-2,2-diMethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
- Product code: SSC-165730
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 |
575484-83-2 / 6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Basic Information
CAS
575484-83-2
Multi CAS
Yes
Molecular Formula
C13H11CLFN5O2
Molecular Weight
323.710000
Exact Mass
323.058531
InChI
InChI=1S/C13H11ClFN5O2/c1-13(2)11(21)19-10-7(22-13)3-4-8(18-10)17-9-6(15)5-16-12(14)20-9/h3-5H,1-2H3,(H2,16,17,18,19,20,21)
InChIKey
IBQYILNHUAYCHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.86
TPSA
89.03
LogP / Solubility
WLOGP
2.52
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 577711-94-5 ethyl 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/577711-94-5.gif)