CAS RN: 1393558-68-3
TERT-BUTYL 2,4-DICHLORO-5,8-DIHYDRO-1,7-NAPHTHYRIDINE-7(6H)-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250201 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250930 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260523 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250221 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-049869
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1393558-68-3 / tert-butyl 2,4-dichloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
Basic Information
CAS
1393558-68-3
Multi CAS
No
Molecular Formula
C13H16Cl2N2O2
Molecular Weight
303.180000
Exact Mass
302.058883
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C=C2Cl)Cl
InChI
InChI=1S/C13H16Cl2N2O2/c1-13(2,3)19-12(18)17-5-4-8-9(14)6-11(15)16-10(8)7-17/h6H,4-5,7H2,1-3H3
InChIKey
MBIVVQQRDPGHDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.61
TPSA
42.43
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.2
Consensus LogP
3.38
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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