CAS RN: 2177267-75-1
3-bromo-5,6,7,8-tetrahydro-1,7-naphthyridine dihydrochloride
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.20251210 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105114
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 |
2177267-75-1 / 3-bromo-5,6,7,8-tetrahydro-1,7-naphthyridine;dihydrochloride
Basic Information
CAS
2177267-75-1
Multi CAS
No
Molecular Formula
C8H11BrCl2N2
Molecular Weight
285.990000
Exact Mass
283.948270
SMILES
C1CNCC2=C1C=C(C=N2)Br.Cl.Cl
InChI
InChI=1S/C8H9BrN2.2ClH/c9-7-3-6-1-2-10-5-8(6)11-4-7;;/h3-4,10H,1-2,5H2;2*1H
InChIKey
BCOZQULMJVQNJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.84
TPSA
24.92
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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