![CAS 1370411-44-1 Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370411-44-1(2).gif)
CAS RN: 1370411-44-1
Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-046549
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: 1g, 10g, 5g, 0.25g, 25g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1370411-44-1 / benzyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Basic Information
CAS
1370411-44-1
Multi CAS
No
Molecular Formula
C15H13Cl2N3O2
Molecular Weight
338.200000
Exact Mass
337.038482
SMILES
C1CN(CC2=C1C(=NC(=N2)Cl)Cl)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H13Cl2N3O2/c16-13-11-6-7-20(8-12(11)18-14(17)19-13)15(21)22-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
XLMNHZAOTDBGMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
82.79
TPSA
55.32
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.32
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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