![CAS 1823379-92-5 6-Chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92744930.gif)
CAS RN: 1823379-92-5
6-Chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- Product code: SSC-083677
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1823379-92-5 / 6-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
Basic Information
CAS
1823379-92-5
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
C1COC2=C(N1)C=CC(=N2)Cl
InChI
InChI=1S/C7H7ClN2O/c8-6-2-1-5-7(10-6)11-4-3-9-5/h1-2,9H,3-4H2
InChIKey
ANVNCDJLJLRPHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.23
TPSA
34.15
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.6
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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