CAS RN: 1211524-49-0
3-broMo-8-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
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.20260217 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1211524-49-0
- Purity/Analytical Methods: >99.0%
1211524-49-0 / 3-bromo-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
3-bromo-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine | MFCD18073521 | DTXSID90744769
Basic Information
CAS
1211524-49-0
Multi CAS
No
Molecular Formula
C9H11BrN2
Molecular Weight
227.100000
Exact Mass
226.010560
SMILES
CC1CNCC2=C1N=CC(=C2)Br
InChI
InChI=1S/C9H11BrN2/c1-6-3-11-4-7-2-8(10)5-12-9(6)7/h2,5-6,11H,3-4H2,1H3
InChIKey
SAUNBSOLPMRRHH-UHFFFAOYSA-N
Synonyms
3-bromo-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
MFCD18073521
DTXSID90744769
AKOS016845475
BS-14529
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.06
TPSA
24.92
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
1.3
Consensus LogP
1.72
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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