CAS RN: 76629-10-2
7-CHLORO-2,3-DIHYDRO-1,8-NAPHTHYRIDIN-4(1H)-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260511 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS76629-10-2
- Purity/Analytical Methods: >99.0%
76629-10-2 / 7-chloro-2,3-dihydro-1H-1,8-naphthyridin-4-one
Basic Information
CAS
76629-10-2
Multi CAS
No
Molecular Formula
C8H7CLN2O
Molecular Weight
182.610000
Exact Mass
182.024691
InChI
InChI=1S/C8H7ClN2O/c9-7-2-1-5-6(12)3-4-10-8(5)11-7/h1-2H,3-4H2,(H,10,11)
InChIKey
CUDIJCORCZREIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.68
TPSA
41.99
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.6
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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