CAS RN: 1059735-34-0
7-Benzyl-2,4-dichloro-5,6…
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260106 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-007614
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, 5g, 0.25g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1059735-34-0 / 7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine | DTXSID50676658 | 7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidine
Basic Information
CAS
1059735-34-0
Multi CAS
No
Molecular Formula
C14H13Cl2N3
Molecular Weight
294.200000
Exact Mass
293.048653
SMILES
C1CN(CC2=C1C(=NC(=N2)Cl)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C14H13Cl2N3/c15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13/h1-5H,6-9H2
InChIKey
CTNDGYOJDNSZMQ-UHFFFAOYSA-N
Synonyms
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
DTXSID50676658
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidine
RefChem:1074356
DTXCID90627407
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.31
TPSA
29.02
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
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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